643	727	897	0:SP2_SP2_SP3	C[6a]	C[5,6a]	O[4]	3:3:3:	3:3:2:	3:4:4:	C[5,6a]-3:C[6a]-3:O[4]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:In[4]-4:In[4]-4:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(O[4]In[4]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O[4])(O[5]C[5])	O[4](C[6a]C[5,6a]C[6a])(In[4]O[4]CC)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(O[4]In[4]2){1|C<3>,1|H<1>,1|O<3>,6|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O[4])(O[5]C[5]){2|In<4>,1|C<3>,2|C<4>,4|H<1>}	O[4](C[6a]C[5,6a]C[6a])(In[4]O[4]CC)2{1|H<1>,1|O<2>,3|C<3>}	119.9700	0.000	1	119.9700	0.000	1	119.9700	0.000	1	119.9700	0.000	1	119.9700	0.000	1	119.9700	0.000	1
643	727	901	0:SP2_SP1_SP2	C[6a]	C[5,6a]	N	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:N-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]O)	N(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(N){1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]O){1|C<2>,1|H<1>,1|O<1>,2|C<3>}	N(C[6a]C[5,6a]C[6a])	121.4400	0.000	1	121.4400	0.000	1	121.4400	0.000	1	121.4400	0.000	1	121.4400	0.000	1	121.4400	0.000	1
643	727	907	0:SP2_SP2_SP3	C[6a]	C[5,6a]	Ge[4]	3:3:4:	3:3:4:	3:3:2:2:	C[5,6a]-3:C[5,6a]-3:Ge[4]-4:	C[6a]-3:C[5,6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:O[4]-2:O[4]-2:	C[6a](C[5,6a]C[5,6a]C[5])2(Ge[4]C[6a]O[4]2)	C[5,6a](C[6a]C[5,6a]Ge[4])(C[5,6a]C[6a]C[5])(C[5]C[5]CC)	Ge[4](C[6a]C[5,6a]2)2(O[4]C[4])2	C[6a](C[5,6a]C[5,6a]C[5])2(Ge[4]C[6a]O[4]2){4|C<3>,8|C<4>}	C[5,6a](C[6a]C[5,6a]Ge[4])(C[5,6a]C[6a]C[5])(C[5]C[5]CC){2|C<3>,2|O<2>,3|C<4>,3|H<1>}	Ge[4](C[6a]C[5,6a]2)2(O[4]C[4])2{1|O<1>,4|C<3>,4|C<4>}	121.0405	4.529	2	121.0405	20.512	2	121.0405	20.512	2	121.0405	20.512	2	121.0405	20.512	2	121.0405	20.512	2
643	727	909	0:SP2_SP2_SP2	C[6a]	C[5,6a]	S	3:2:2:	3:3:3:	3:4:	C[5,6a]-3:N[6a]-2:S-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(SC)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]S)	S(C[6a]C[5,6a]N[6a])(CH3)	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(SC){4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]S){1|C<4>,1|N<2>,1|S<2>,3|C<3>}	S(C[6a]C[5,6a]N[6a])(CH3)	121.4720	1.185	2	120.6270	2.844	3	120.6270	2.844	3	120.6270	2.844	3	121.3852	14.551	45	120.4238	9.686	92
643	727	909	0:SP2_SP2_SP2	C[6a]	C[5,6a]	S	3:2:2:	3:3:3:	3:4:	C[5,6a]-3:N[6a]-2:S-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(SC)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]S)	S(C[6a]C[5,6a]N[6a])(CH3)	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(SC){4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]S){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	S(C[6a]C[5,6a]N[6a])(CH3)	118.9370	0.000	1	120.6270	2.844	3	120.6270	2.844	3	120.6270	2.844	3	121.3852	14.551	45	120.4238	9.686	92
643	727	909	0:SP2_SP2_SP2	C[6a]	C[5,6a]	S	3:3:2:	3:3:2:	3:3:	C[5,6a]-3:C[6a]-3:S-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[6]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(SC[6])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]S)(O[5]C[5,6])	S(C[6a]C[5,6a]C[6a])(C[6]C[6]2)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(SC[6]){1|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]S)(O[5]C[5,6]){3|C<3>,4|H<1>}	S(C[6a]C[5,6a]C[6a])(C[6]C[6]2)	122.0750	0.000	1	122.0750	0.000	1	122.0750	0.000	1	122.0750	0.000	1	121.3852	14.551	45	120.4238	9.686	92
643	727	909	0:SP2_SP2_SP2	C[6a]	C[5,6a]	S	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:S-2:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]Cl)(SC[5a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]S)	S(C[6a]C[5,6a]C[6a])(C[5a]N[5a]S[5a])	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]Cl)(SC[5a]){1|Cl<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]S){2|Cl<1>,5|C<3>}	S(C[6a]C[5,6a]C[6a])(C[5a]N[5a]S[5a])	124.6590	2.656	2	125.9093	8.217	3	125.9093	8.217	3	123.8678	9.437	6	121.3852	14.551	45	120.4238	9.686	92
643	727	909	0:SP2_SP2_SP2	C[6a]	C[5,6a]	S	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:S-2:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]Cl)(SC[5a])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]S)	S(C[6a]C[5,6a]C[6a])(C[5a]N[5a]S[5a])	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]Cl)(SC[5a]){1|S<2>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]S){2|Cl<1>,5|C<3>}	S(C[6a]C[5,6a]C[6a])(C[5a]N[5a]S[5a])	128.4100	0.000	1	125.9093	8.217	3	125.9093	8.217	3	123.8678	9.437	6	121.3852	14.551	45	120.4238	9.686	92
643	727	909	0:SP2_SP2_SP2	C[6a]	C[5,6a]	S	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:S-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(SC[6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]S)(C[5]N[5]N)	S(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(SC[6a]){1|H<1>,2|C<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]S)(C[5]N[5]N){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	S(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)	120.8485	0.086	2	120.8485	0.007	2	120.8485	0.007	2	123.8678	9.437	6	121.3852	14.551	45	120.4238	9.686	92
643	727	909	0:SP2_SP2_SP2	C[6a]	C[5,6a]	S	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:S-2:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(SC[6a])	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]S)	S(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(SC[6a]){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]S){1|C<3>,2|N<2>,6|H<1>}	S(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)	123.7820	0.000	1	123.7820	0.000	1	123.7820	0.000	1	123.8678	9.437	6	121.3852	14.551	45	120.4238	9.686	92
643	727	909	0:SP2_SP2_SP2	C[6a]	C[5,6a]	S	3:3:2:	3:3:4:	3:2:	C[5,6a]-3:C[5,6a]-3:S-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:S-2:	C[6a](C[5,6a]C[5,6a]C[5])2(SS)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]S)(C[5]C[5]CC)	S(C[6a]C[5,6a]2)(SC[6a])	C[6a](C[5,6a]C[5,6a]C[5])2(SS){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]S)(C[5]C[5]CC){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	S(C[6a]C[5,6a]2)(SC[6a])	120.4975	1.710	2	120.4975	2.926	2	120.4975	2.926	2	120.4975	2.926	2	121.3852	14.551	45	120.4238	9.686	92
643	727	909	0:SP2_SP2_SP2	C[6a]	C[5,6a]	S	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:S-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]C)(SC)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]S)(C[5]O[5]HH)	S(C[6a]C[5,6a]C[6a])(CClHH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]C)(SC){1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]S)(C[5]O[5]HH){1|C<3>,1|C<4>,1|O<1>,1|S<2>}	S(C[6a]C[5,6a]C[6a])(CClHH)	118.2700	0.000	1	118.2700	0.000	1	118.2780	0.000	2	118.2780	0.000	2	121.3852	14.551	45	120.4238	9.686	92
643	727	909	0:SP2_SP2_SP2	C[6a]	C[5,6a]	S	3:3:2:	3:3:4:	3:4:	C[5,6a]-3:C[6a]-3:S-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]C)(SC)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]S)(C[5]O[5]HH)	S(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]C)(SC){1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]S)(C[5]O[5]HH){1|C<3>,1|C<4>,1|O<1>,1|S<2>}	S(C[6a]C[5,6a]C[6a])(CH3)	118.2860	0.000	1	118.2860	0.000	1	118.2780	0.000	2	118.2780	0.000	2	121.3852	14.551	45	120.4238	9.686	92
643	727	909	0:SP2_SP2_SP2	C[6a]	C[5,6a]	S	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:S-2:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]S)(SC)	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]HH)(C[6a]C[6a]S)	S(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]S)(SC){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]HH)(C[6a]C[6a]S){1|S<1>,4|C<3>}	S(C[6a]C[5,6a]C[6a])(CH3)	111.7340	0.000	1	121.2135	17.449	31	121.2135	17.449	31	121.2135	17.449	31	121.3852	14.551	45	120.4238	9.686	92
643	727	909	0:SP2_SP2_SP2	C[6a]	C[5,6a]	S	3:3:2:	3:4:3:	3:4:	C[5,6a]-3:C[6a]-3:S-2:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]S)(SC)	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]HH)(C[6a]C[6a]S)	S(C[6a]C[5,6a]C[6a])(CH3)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]S)(SC){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]HH)(C[6a]C[6a]S){1|S<2>,4|C<3>}	S(C[6a]C[5,6a]C[6a])(CH3)	121.5295	3.853	30	121.2135	17.449	31	121.2135	17.449	31	121.2135	17.449	31	121.3852	14.551	45	120.4238	9.686	92
643	727	909	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	S	3:2:2:	3:3:2:	3:3:	C[5a,6a]-3:N[6a]-2:S-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a])	S(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC[6a]){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a]){1|C<3>,2|H<1>}	S(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)	118.4070	0.000	1	117.4957	0.708	3	117.4957	0.708	3	117.4957	0.708	3	119.5034	3.472	47	120.4238	9.686	92
643	727	909	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	S	3:2:2:	3:3:2:	3:3:	C[5a,6a]-3:N[6a]-2:S-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC[6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a])	S(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC[6a]){1|C<3>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a]){1|C<3>,2|H<1>}	S(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)	117.0400	0.413	2	117.4957	0.708	3	117.4957	0.708	3	117.4957	0.708	3	119.5034	3.472	47	120.4238	9.686	92
643	727	909	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	S	3:2:2:	3:3:2:	3:4:	C[5a,6a]-3:N[6a]-2:S-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a])	S(C[6a]C[5a,6a]N[6a])(CCHH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a]){1|C<3>,2|H<1>}	S(C[6a]C[5a,6a]N[6a])(CCHH)	117.9870	0.000	1	118.3898	0.061	5	119.0252	0.789	9	118.8612	0.970	10	119.5034	3.472	47	120.4238	9.686	92
643	727	909	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	S	3:2:2:	3:3:2:	3:4:	C[5a,6a]-3:N[6a]-2:S-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a])	S(C[6a]C[5a,6a]N[6a])(CCHH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a]){1|H<1>,2|C<3>}	S(C[6a]C[5a,6a]N[6a])(CCHH)	118.4905	0.118	4	118.3898	0.061	5	119.0252	0.789	9	118.8612	0.970	10	119.5034	3.472	47	120.4238	9.686	92
643	727	909	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	S	3:2:2:	3:3:2:	3:4:	C[5a,6a]-3:N[6a]-2:S-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a])	S(C[6a]C[5a,6a]N[6a])(CC[6a]HH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a]){1|C<3>,2|H<1>}	S(C[6a]C[5a,6a]N[6a])(CC[6a]HH)	118.8600	0.000	1	119.7225	1.488	2	119.0252	0.789	9	118.8612	0.970	10	119.5034	3.472	47	120.4238	9.686	92
643	727	909	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	S	3:2:2:	3:3:2:	3:4:	C[5a,6a]-3:N[6a]-2:S-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a])	S(C[6a]C[5a,6a]N[6a])(CC[6a]HH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC){1|C<3>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	S(C[6a]C[5a,6a]N[6a])(CC[6a]HH)	120.5850	0.000	1	119.7225	1.488	2	119.0252	0.789	9	118.8612	0.970	10	119.5034	3.472	47	120.4238	9.686	92
643	727	909	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	S	3:2:2:	3:3:2:	3:4:	C[5a,6a]-3:N[6a]-2:S-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a])	S(C[6a]C[5a,6a]N[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>}	S(C[6a]C[5a,6a]N[6a])(CH3)	119.9120	0.000	1	119.9165	0.000	2	119.0252	0.789	9	118.8612	0.970	10	119.5034	3.472	47	120.4238	9.686	92
643	727	909	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	S	3:2:2:	3:3:2:	3:4:	C[5a,6a]-3:N[6a]-2:S-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a])	S(C[6a]C[5a,6a]N[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC){1|C<3>,1|N<2>,1|N<3>,1|S<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	S(C[6a]C[5a,6a]N[6a])(CH3)	119.9210	0.000	1	119.9165	0.000	2	119.0252	0.789	9	118.8612	0.970	10	119.5034	3.472	47	120.4238	9.686	92
643	727	909	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	S	3:2:2:	3:3:2:	3:4:	C[5a,6a]-3:N[6a]-2:S-2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-4:	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(SC)	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a])	S(C[6a]C[5a,6a]N[6a])(CH3)	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(SC){1|N<2>,1|S<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	S(C[6a]C[5a,6a]N[6a])(CH3)	117.3850	0.000	1	117.3850	0.000	1	117.3850	0.000	1	118.8612	0.970	10	119.5034	3.472	47	120.4238	9.686	92
643	727	909	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	S	3:2:2:	3:3:3:	3:4:	C[5a,6a]-3:N[6a]-2:S-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(SC)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]S)	S(C[6a]C[5a,6a]N[6a])(CCHH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(SC){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]S){1|C<3>,1|C<4>,1|H<1>}	S(C[6a]C[5a,6a]N[6a])(CCHH)	126.5470	0.000	1	126.5470	0.000	1	119.4254	3.238	19	119.4254	3.238	19	119.5034	3.472	47	120.4238	9.686	92
643	727	909	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	S	3:2:2:	3:3:3:	3:4:	C[5a,6a]-3:N[6a]-2:S-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(SC)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]S)	S(C[6a]C[5a,6a]N[6a])(CC[6a]HH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(SC){1|N<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	S(C[6a]C[5a,6a]N[6a])(CC[6a]HH)	118.0540	0.000	1	118.0540	0.000	1	119.4254	3.238	19	119.4254	3.238	19	119.5034	3.472	47	120.4238	9.686	92
643	727	909	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	S	3:2:2:	3:3:3:	3:4:	C[5a,6a]-3:N[6a]-2:S-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(SC)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]S)	S(C[6a]C[5a,6a]N[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(SC){1|H<1>,1|N<3>,1|S<2>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]S){1|C<3>,1|C<4>}	S(C[6a]C[5a,6a]N[6a])(CH3)	119.1669	0.366	16	119.0872	0.233	17	119.4254	3.238	19	119.4254	3.238	19	119.5034	3.472	47	120.4238	9.686	92
643	727	909	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	S	3:2:2:	3:3:3:	3:4:	C[5a,6a]-3:N[6a]-2:S-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(SC)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]S)	S(C[6a]C[5a,6a]N[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(SC){1|N<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]S){1|C<3>,1|C<4>}	S(C[6a]C[5a,6a]N[6a])(CH3)	117.8120	0.000	1	119.0872	0.233	17	119.4254	3.238	19	119.4254	3.238	19	119.5034	3.472	47	120.4238	9.686	92
643	727	909	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	S	3:3:2:	3:3:2:	3:3:	C[5a,6a]-3:C[6a]-3:S-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(SC[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]S)(N[5a]O[5a])	S(C[6a]C[5a,6a]C[6a])2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(SC[6a]){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]S)(N[5a]O[5a]){1|C<3>,1|H<1>,1|N<3>}	S(C[6a]C[5a,6a]C[6a])2	119.0600	3.711	2	119.0600	13.771	2	119.0600	13.771	2	119.0600	13.771	2	119.5034	3.472	47	120.4238	9.686	92
643	727	909	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	S	3:3:2:	3:3:2:	3:4:	C[5a,6a]-3:C[6a]-3:S-2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]S)(SC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]S)(S[5a]C[5a])	S(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]S)(SC){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]S)(S[5a]C[5a]){1|C<3>,1|H<1>,3|S<2>}	S(C[6a]C[5a,6a]C[6a])(CH3)	120.3640	0.000	1	120.3640	0.000	1	120.3640	0.000	1	120.3640	0.000	1	119.5034	3.472	47	120.4238	9.686	92
643	727	909	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	S	3:3:2:	3:3:3:	3:3:	C[5a,6a]-3:C[6a]-3:S-2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(SC[6a])	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]S)	S(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(SC[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]S){1|B<4>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	S(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	118.2500	0.597	2	119.5033	2.479	6	119.5033	2.479	6	120.2431	2.023	11	119.5034	3.472	47	120.4238	9.686	92
643	727	909	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	S	3:3:2:	3:3:3:	3:3:	C[5a,6a]-3:C[6a]-3:S-2:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(SC[6a])	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]S)	S(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(SC[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]S){1|Si<6>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	S(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	120.1300	1.563	4	119.5033	2.479	6	119.5033	2.479	6	120.2431	2.023	11	119.5034	3.472	47	120.4238	9.686	92
643	727	909	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	S	3:3:2:	3:3:3:	3:3:	C[5a,6a]-3:C[6a]-3:S-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(SC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]S)	S(C[6a]C[5a,6a]C[6a])(CNS)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(SC){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]S){1|C<3>,4|H<1>}	S(C[6a]C[5a,6a]C[6a])(CNS)	121.5175	0.286	2	121.5175	0.082	2	121.5175	0.082	2	120.2431	2.023	11	119.5034	3.472	47	120.4238	9.686	92
643	727	909	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	S	3:3:2:	3:3:3:	3:3:	C[5a,6a]-3:C[6a]-3:S-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(SC[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]S)	S(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(SC[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]S){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	S(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	120.8755	0.176	2	120.8755	0.031	2	120.8755	0.031	2	120.2431	2.023	11	119.5034	3.472	47	120.4238	9.686	92
643	727	909	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	S	3:3:2:	3:3:3:	3:3:	C[5a,6a]-3:C[6a]-3:S-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(SC[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]S)	S(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(SC[6a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]S){2|H<1>,2|N<2>,3|C<3>}	S(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	120.8680	0.000	1	120.8680	0.000	1	120.8680	0.000	1	120.2431	2.023	11	119.5034	3.472	47	120.4238	9.686	92
643	727	909	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	S	3:3:2:	3:3:3:	3:4:	C[5a,6a]-3:C[6a]-3:S-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(SC)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]S)	S(C[6a]C[5a,6a]C[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(SC){1|C<3>,1|C<4>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]S){1|C<4>,4|C<3>}	S(C[6a]C[5a,6a]C[6a])(CH3)	125.3190	0.000	1	125.3190	0.000	1	125.3190	0.000	1	125.3190	0.000	1	119.5034	3.472	47	120.4238	9.686	92
643	727	914	0:SP2_SP2_SP2	C[6,6a]	C[5a,6a]	N[6]	3:3:2:	3:3:2:	3:3:	C[5a,6a]-3:C[6,6a]-3:N[6]-2:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	C[6,6a]-3:C[6]-3:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]N[6])(N[6]C[6])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]N[6])(N[5a]S[5a])	N[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]N[6]C)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]N[6])(N[6]C[6]){1|C<4>,1|H<1>,1|S<2>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6,6a]C[6,6a]N[6])(N[5a]S[5a]){1|N<3>,3|C<3>}	N[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]N[6]C){1|N<2>,1|N<3>,2|C<3>}	121.1990	0.000	1	121.1990	0.000	1	121.1990	0.000	1	121.1990	0.000	1	121.1990	0.000	1	121.1990	0.000	1
643	727	921	0:SP2_SP2_SP3	C[6a]	C[5a,6a]	Se	3:3:2:	3:3:3:	3:3:	C[5a,6a]-3:C[6a]-3:Se-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(SeC[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Se)(C[5a]C[5a]C)	Se(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(SeC[6a]){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Se)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	Se(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	120.0605	0.499	2	120.0605	0.249	2	120.0605	0.249	2	120.0605	0.249	2	120.0605	0.249	2	120.0605	0.249	2
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:2:1:	3:3:4:	3:	C[5,6a]-3:N[6a]-2:Br-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]Br)(C[5]C[5]HH)	Br(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(Br){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]Br)(C[5]C[5]HH){1|C<4>,2|H<1>,3|C<3>}	Br(C[6a]C[5,6a]N[6a])	118.0850	0.000	1	118.0850	0.000	1	118.0850	0.000	1	118.0850	0.000	1	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6,6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(Br)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]Br)(O[5]C[5])	Br(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(Br){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]Br)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	Br(C[6a]C[5,6a]C[6,6a])	118.0750	0.000	1	118.0750	0.000	1	118.0750	0.000	1	118.5102	1.795	33	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5])	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|Br<1>,1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]){1|C<3>,2|H<1>,3|C<4>}	Br(C[6a]C[5,6a]C[6a])	120.9580	0.000	1	120.9580	0.000	1	118.8516	2.787	8	118.5102	1.795	33	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(N[5]O[5])	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(N[5]O[5]){1|Br<1>,1|C<3>,1|H<1>,1|O<1>}	Br(C[6a]C[5,6a]C[6a])	118.8852	0.805	4	118.8852	0.647	4	118.8516	2.787	8	118.5102	1.795	33	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(N[5]S[5])	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(N[5]S[5]){1|B<4>,1|C<3>,2|H<1>}	Br(C[6a]C[5,6a]C[6a])	115.3430	0.000	1	118.1047	5.726	3	118.8516	2.787	8	118.5102	1.795	33	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(N[5]S[5])	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(N[5]S[5]){1|Pd<4>,1|H<1>,2|C<3>}	Br(C[6a]C[5,6a]C[6a])	119.4855	0.112	2	118.1047	5.726	3	118.8516	2.787	8	118.5102	1.795	33	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(Br)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]Br)(O[5]C[5])	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(Br){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]Br)(O[5]C[5]){1|N<3>,3|C<3>,3|H<1>}	Br(C[6a]C[5,6a]C[6a])	119.8935	0.796	4	119.8935	0.634	4	118.3609	1.590	23	118.5102	1.795	33	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Br)(Br)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Br)(O[5]Si[5,5])	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Br)(Br){1|Br<1>,1|Si<5>,1|C<3>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Br)(O[5]Si[5,5]){2|Br<1>,1|C<3>,3|O<2>}	Br(C[6a]C[5,6a]C[6a])	118.2244	0.816	8	118.0622	0.637	10	118.3609	1.590	23	118.5102	1.795	33	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Br)(Br)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Br)(O[5]Si[5,5])	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Br)(Br){1|Br<1>,1|Si<6>,1|C<3>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Br)(O[5]Si[5,5]){2|Br<1>,1|C<3>,4|O<2>}	Br(C[6a]C[5,6a]C[6a])	117.4135	0.158	2	118.0622	0.637	10	118.3609	1.590	23	118.5102	1.795	33	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(Br)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Br)(O[5]C[5])	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(Br){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Br)(O[5]C[5]){1|O<2>,2|C<3>,2|H<1>}	Br(C[6a]C[5,6a]C[6a])	116.7263	1.406	3	116.7263	1.977	3	118.3609	1.590	23	118.5102	1.795	33	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O[6a])(Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(O[5]C[5])	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O[6a])(Br){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	Br(C[6a]C[5,6a]C[6a])	118.6542	0.957	6	118.6542	0.917	6	118.3609	1.590	23	118.5102	1.795	33	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Br)(S[5]C[5,6])	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Br)(S[5]C[5,6]){2|C<3>,2|C<4>,3|H<1>}	Br(C[6a]C[5,6a]C[6a])	119.6500	0.000	1	119.6500	0.000	1	119.6500	0.000	1	118.5102	1.795	33	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]Br)(C[5]C[5]H)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(Br){2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]Br)(C[5]C[5]H){2|H<1>,3|C<3>}	Br(C[6a]C[5,6a]C[6a])	120.7295	0.695	2	120.7295	0.483	2	120.7295	0.483	2	120.7759	5.510	64	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(Br){1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]Br){1|Br<1>,1|O<1>,2|H<1>,3|C<3>}	Br(C[6a]C[5,6a]C[6a])	124.6150	0.307	2	122.8237	4.410	4	122.8237	4.410	4	120.7759	5.510	64	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(Br){1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]Br){1|C<2>,1|N<3>,2|H<1>,3|C<3>}	Br(C[6a]C[5,6a]C[6a])	121.0325	0.548	2	122.8237	4.410	4	122.8237	4.410	4	120.7759	5.510	64	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(Br)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(C[6a]C[6a]Br)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(Br){1|Br<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(C[6a]C[6a]Br){1|C<4>,1|H<1>,5|C<3>}	Br(C[6a]C[5,6a]C[6a])	120.1160	0.591	2	120.1160	0.349	2	120.1160	0.349	2	120.7759	5.510	64	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C)(Br)	C[5,6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(C[5]C[5,6]H)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C)(Br){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(C[5]C[5,6]H){1|C<3>,1|O<2>,4|C<4>}	Br(C[6a]C[5,6a]C[6a])	115.1120	3.916	4	115.1120	15.332	4	119.6027	6.811	23	120.7759	5.510	64	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]O[5]O)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(Br){1|Br<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]O[5]O){2|Br<1>,1|C<3>,1|O<1>}	Br(C[6a]C[5,6a]C[6a])	120.6472	0.370	16	120.6472	0.137	16	119.6027	6.811	23	120.7759	5.510	64	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]O[5]O)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(Br){1|Br<1>,1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]O[5]O){1|C<4>,2|C<3>,2|H<1>}	Br(C[6a]C[5,6a]C[6a])	121.2100	0.000	1	121.2100	0.000	1	119.6027	6.811	23	120.7759	5.510	64	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5]C[5]C)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	Br(C[6a]C[5,6a]C[6a])	118.7100	0.000	1	118.7100	0.000	1	119.6027	6.811	23	120.7759	5.510	64	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5]C[5]O)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5]C[5]O){1|C<3>,1|O<1>,3|H<1>}	Br(C[6a]C[5,6a]C[6a])	120.1390	0.000	1	120.1390	0.000	1	119.6027	6.811	23	120.7759	5.510	64	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]C)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	Br(C[6a]C[5,6a]C[6a])	124.4040	1.847	2	124.4040	3.411	2	121.3359	3.829	32	120.7759	5.510	64	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5,5]C)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5,5]C){1|C<3>,3|C<4>,3|H<1>}	Br(C[6a]C[5,6a]C[6a])	120.8290	0.321	2	121.5473	1.600	3	121.3359	3.829	32	120.7759	5.510	64	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5,5]C)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5,5]C){1|O<2>,3|C<3>,3|H<1>}	Br(C[6a]C[5,6a]C[6a])	122.9840	0.000	1	121.5473	1.600	3	121.3359	3.829	32	120.7759	5.510	64	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5,5]H)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5,5]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	Br(C[6a]C[5,6a]C[6a])	118.4730	0.000	1	118.4730	0.000	1	121.3359	3.829	32	120.7759	5.510	64	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]C)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	Br(C[6a]C[5,6a]C[6a])	123.9760	0.000	1	123.9965	0.001	2	121.3359	3.829	32	120.7759	5.510	64	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]C)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	Br(C[6a]C[5,6a]C[6a])	124.0170	0.000	1	123.9965	0.001	2	121.3359	3.829	32	120.7759	5.510	64	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]H)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	Br(C[6a]C[5,6a]C[6a])	120.4470	0.481	2	119.9259	1.419	7	121.3359	3.829	32	120.7759	5.510	64	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]H)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	Br(C[6a]C[5,6a]C[6a])	119.1770	0.000	1	119.9259	1.419	7	121.3359	3.829	32	120.7759	5.510	64	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]H)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	Br(C[6a]C[5,6a]C[6a])	119.8980	0.383	2	119.9259	1.419	7	121.3359	3.829	32	120.7759	5.510	64	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]H)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	Br(C[6a]C[5,6a]C[6a])	119.8070	2.646	2	119.9259	1.419	7	121.3359	3.829	32	120.7759	5.510	64	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Br)(N[5]C[5,6]H)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Br)(N[5]C[5,6]H){1|C<4>,2|H<1>,4|C<3>}	Br(C[6a]C[5,6a]C[6a])	120.5460	0.000	1	120.5460	0.000	1	121.3359	3.829	32	120.7759	5.510	64	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Br)(N[5]C[5]C)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Br)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	Br(C[6a]C[5,6a]C[6a])	123.9030	0.000	1	123.9030	0.000	1	121.3359	3.829	32	120.7759	5.510	64	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Br)(N[5]C[5]H)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Br)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	Br(C[6a]C[5,6a]C[6a])	121.2160	0.000	1	121.2160	0.000	1	121.3359	3.829	32	120.7759	5.510	64	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]C)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	Br(C[6a]C[5,6a]C[6a])	123.1420	0.000	1	124.1233	0.722	3	121.3359	3.829	32	120.7759	5.510	64	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]C)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	Br(C[6a]C[5,6a]C[6a])	124.6290	0.000	1	124.1233	0.722	3	121.3359	3.829	32	120.7759	5.510	64	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]C)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	Br(C[6a]C[5,6a]C[6a])	124.5990	0.000	1	124.1233	0.722	3	121.3359	3.829	32	120.7759	5.510	64	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]H)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	Br(C[6a]C[5,6a]C[6a])	120.0730	0.000	1	120.1919	0.716	7	121.3359	3.829	32	120.7759	5.510	64	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]H)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	Br(C[6a]C[5,6a]C[6a])	119.9580	0.766	5	120.1919	0.716	7	121.3359	3.829	32	120.7759	5.510	64	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]H)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	Br(C[6a]C[5,6a]C[6a])	121.4800	0.000	1	120.1919	0.716	7	121.3359	3.829	32	120.7759	5.510	64	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(N[5]O[5]O)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(N[5]O[5]O){1|Br<1>,1|C<3>,1|H<1>}	Br(C[6a]C[5,6a]C[6a])	120.9932	0.898	4	120.9932	0.807	4	121.3359	3.829	32	120.7759	5.510	64	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(Br)	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]Br)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(Br){1|Br<1>,1|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]Br){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	Br(C[6a]C[5,6a]C[6a])	123.0630	0.000	1	123.0630	0.000	1	123.0630	0.000	1	120.7759	5.510	64	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[5,6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])2(Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Br)(C[5]C[5]CC)	Br(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])2(Br){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Br)(C[5]C[5]CC){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	Br(C[6a]C[5,6a]2)	119.4660	0.263	2	119.4660	0.069	2	119.4660	0.069	2	120.1909	1.581	31	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(C[5]C[5]HH)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]Br)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	Br(C[6a]C[5,6a]C[6a])	120.4550	0.000	1	120.4550	0.000	1	120.4550	0.000	1	120.1909	1.581	31	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:C[5,5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5,5]C[5]3)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5,5]C[5]3){1|N<3>,1|O<1>,1|S<1>,2|C<3>,2|C<4>,3|H<1>}	Br(C[6a]C[5,6a]C[6a])	120.1110	0.000	1	120.8520	1.098	2	120.8520	1.098	2	120.1909	1.581	31	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:C[5,5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5,5]C[5]3)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(Br){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5,5]C[5]3){1|C<4>,1|N<2>,1|O<1>,2|C<2>,2|H<1>,4|C<3>}	Br(C[6a]C[5,6a]C[6a])	121.5930	0.000	1	120.8520	1.098	2	120.8520	1.098	2	120.1909	1.581	31	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]CC)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(Br){1|Br<1>,1|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]CC){2|Br<1>,1|C<4>,2|C<3>,2|H<1>}	Br(C[6a]C[5,6a]C[6a])	120.4410	0.000	1	120.4410	0.000	1	120.2132	1.824	25	120.1909	1.581	31	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(Br){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH){4|Br<1>,1|C<3>,2|H<1>}	Br(C[6a]C[5,6a]C[6a])	118.1060	0.000	1	118.1060	0.000	1	120.2132	1.824	25	120.1909	1.581	31	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(C[5]C[5]HH)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	Br(C[6a]C[5,6a]C[6a])	118.3800	0.000	1	119.3653	0.794	3	120.2132	1.824	25	120.1909	1.581	31	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(C[5]C[5]HH)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	Br(C[6a]C[5,6a]C[6a])	119.8580	0.363	2	119.3653	0.794	3	120.2132	1.824	25	120.1909	1.581	31	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]2H)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]2H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	Br(C[6a]C[5,6a]C[6a])	121.0235	0.513	4	121.0235	0.263	4	120.2132	1.824	25	120.1909	1.581	31	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH){1|Br<1>,1|C<3>,1|O<2>,4|H<1>}	Br(C[6a]C[5,6a]C[6a])	118.6870	0.000	1	119.0240	0.588	4	120.2132	1.824	25	120.1909	1.581	31	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH){1|S<4>,2|C<3>,4|H<1>}	Br(C[6a]C[5,6a]C[6a])	118.4760	0.000	1	119.0240	0.588	4	120.2132	1.824	25	120.1909	1.581	31	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	Br(C[6a]C[5,6a]C[6a])	120.1590	0.000	1	119.0240	0.588	4	120.2132	1.824	25	120.1909	1.581	31	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH){1|O<1>,2|C<3>,2|H<1>}	Br(C[6a]C[5,6a]C[6a])	118.7740	0.000	1	119.0240	0.588	4	120.2132	1.824	25	120.1909	1.581	31	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5]C[5]CN)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5]C[5]CN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	Br(C[6a]C[5,6a]C[6a])	119.7940	0.000	1	119.7940	0.000	1	120.2132	1.824	25	120.1909	1.581	31	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5]C[5]CO)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	Br(C[6a]C[5,6a]C[6a])	120.7255	1.310	2	120.7255	1.717	2	120.2132	1.824	25	120.1909	1.581	31	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5]C[5]HN)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)(C[5]C[5]HN){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	Br(C[6a]C[5,6a]C[6a])	118.2200	0.000	1	118.2200	0.000	1	120.2132	1.824	25	120.1909	1.581	31	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(Br){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	Br(C[6a]C[5,6a]C[6a])	120.4540	0.000	1	120.4540	0.000	1	120.2132	1.824	25	120.1909	1.581	31	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HO)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(Br){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HO){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	Br(C[6a]C[5,6a]C[6a])	122.2740	0.000	1	122.2740	0.000	1	120.2132	1.824	25	120.1909	1.581	31	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]O[5]HH)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(Br){1|O<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]O[5]HH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	Br(C[6a]C[5,6a]C[6a])	119.8500	0.040	2	119.8500	0.002	2	120.2132	1.824	25	120.1909	1.581	31	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(Br)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(C[5]C[5]CC)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(Br){1|C<3>,1|O<2>,4|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)(C[5]C[5]CC){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	Br(C[6a]C[5,6a]C[6a])	122.7565	0.269	2	122.7565	0.073	2	120.2132	1.824	25	120.1909	1.581	31	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]BrH)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(Br){2|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]BrH){2|Br<1>,1|C<3>,1|O<2>,3|H<1>}	Br(C[6a]C[5,6a]C[6a])	121.0550	0.000	1	121.0550	0.000	1	120.2132	1.824	25	120.1909	1.581	31	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(Br){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)(C[5]C[5]HH){1|C<4>,3|C<3>,3|O<2>}	Br(C[6a]C[5,6a]C[6a])	120.0360	0.000	1	120.0360	0.000	1	120.2132	1.824	25	120.1909	1.581	31	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:3:4:	3:	C[6a,6a]-3:C[5,6a]-3:Br-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(Br)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]Br)(C[5]C[5]HH)	Br(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(Br){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]Br)(C[5]C[5]HH){2|C<3>,4|H<1>}	Br(C[6a]C[6a,6a]C[5,6a])	119.4970	0.000	1	119.4970	0.000	1	119.4970	0.000	1	120.1909	1.581	31	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]Br)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(Br){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]Br){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	Br(C[6a]C[5,6a]C[6a])	123.3040	0.000	1	123.3040	0.000	1	122.3905	1.669	2	121.5657	1.585	20	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]Br)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(Br){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]Br){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	Br(C[6a]C[5,6a]C[6a])	121.4770	0.000	1	121.4770	0.000	1	122.3905	1.669	2	121.5657	1.585	20	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]Br)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]Br){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	Br(C[6a]C[5,6a]C[6a])	121.1440	0.000	1	121.1440	0.000	1	121.1440	0.000	1	121.5657	1.585	20	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[6]2O[5])(C[6a]C[6a]Br)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(Br){1|C<4>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[6]2O[5])(C[6a]C[6a]Br){1|C<4>,1|O<2>,2|C<3>,2|O<1>,3|H<1>}	Br(C[6a]C[5,6a]C[6a])	121.1360	0.000	1	121.1360	0.000	1	121.8964	1.150	5	121.5657	1.585	20	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]Br)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(Br){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]Br){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	Br(C[6a]C[5,6a]C[6a])	122.8570	0.000	2	122.8570	0.000	2	121.8964	1.150	5	121.5657	1.585	20	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]N[6]2)(C[6a]C[6a]Br)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(Br){1|H<1>,2|C<3>,3|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]N[6]2)(C[6a]C[6a]Br){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	Br(C[6a]C[5,6a]C[6a])	120.4490	0.000	1	120.4490	0.000	1	121.8964	1.150	5	121.5657	1.585	20	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(Br)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]Br)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(Br){2|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]Br){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	Br(C[6a]C[5,6a]C[6a])	122.1830	0.000	1	122.1830	0.000	1	121.8964	1.150	5	121.5657	1.585	20	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(Br)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]Br)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(Br){1|Br<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]Br){2|Br<1>,2|C<4>,2|H<1>,3|C<3>}	Br(C[6a]C[5,6a]C[6a])	120.2710	0.000	1	120.2710	0.000	1	121.3255	1.916	12	121.5657	1.585	20	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]Br)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]Br){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	Br(C[6a]C[5,6a]C[6a])	119.2400	0.059	2	119.2400	0.004	2	121.3255	1.916	12	121.5657	1.585	20	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]C[5]C)(C[6a]C[6a]Br)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]C[5]C)(C[6a]C[6a]Br){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	Br(C[6a]C[5,6a]C[6a])	123.1870	0.000	1	123.1870	0.000	1	121.3255	1.916	12	121.5657	1.585	20	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]Br)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]Br){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	Br(C[6a]C[5,6a]C[6a])	122.1448	0.668	6	122.1448	0.446	6	121.3255	1.916	12	121.5657	1.585	20	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]Br)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Br){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]Br){1|O<1>,3|C<3>,3|H<1>}	Br(C[6a]C[5,6a]C[6a])	120.1440	0.000	1	120.1440	0.000	1	121.3255	1.916	12	121.5657	1.585	20	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(Br)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]Br)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(Br){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]Br){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	Br(C[6a]C[5,6a]C[6a])	120.9550	0.000	1	120.9550	0.000	1	121.3255	1.916	12	121.5657	1.585	20	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[5,6a]-3:Br-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])2(Br)	C[5,6a](C[5,5]C[5,6a]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Br)	Br(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5,5])2(Br){4|C<4>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Br){3|C<4>,3|H<1>,5|C<3>}	Br(C[6a]C[5,6a]2)	120.0090	0.288	2	120.0090	0.083	2	120.0090	0.083	2	122.2298	2.749	21	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	Br(C[6a]C[5,6a]C[6a])	122.2990	0.000	1	122.2990	0.000	1	122.7585	3.320	11	122.2298	2.749	21	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,5]C[5,5]S[5]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]Br)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(Br){1|C<3>,1|C<4>,2|H<1>,2|S<2>}	C[5,6a](C[5,5]C[5,5]S[5]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]Br){3|C<3>,3|H<1>}	Br(C[6a]C[5,6a]C[6a])	119.6340	0.000	1	119.6340	0.000	1	122.7585	3.320	11	122.2298	2.749	21	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(Br)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(Br){1|Br<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br){1|H<1>,1|O<2>,3|C<4>,4|C<3>}	Br(C[6a]C[5,6a]C[6a])	123.8757	0.478	3	124.4192	0.668	5	122.7585	3.320	11	122.2298	2.749	21	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(Br)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(Br){1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br){1|Br<1>,1|O<2>,3|C<4>,4|C<3>}	Br(C[6a]C[5,6a]C[6a])	125.2345	0.023	2	124.4192	0.668	5	122.7585	3.320	11	122.2298	2.749	21	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(Br)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(Br){1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]Br){1|Br<1>,1|O<2>,3|C<3>,3|C<4>,4|H<1>}	Br(C[6a]C[5,6a]C[6a])	121.9715	0.732	2	121.5785	0.400	4	122.7585	3.320	11	122.2298	2.749	21	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(Br)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(Br){2|C<3>,4|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]Br){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	Br(C[6a]C[5,6a]C[6a])	121.1855	0.214	2	121.5785	0.400	4	122.7585	3.320	11	122.2298	2.749	21	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6]C[5,6]C[5]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6]C[5,6]C[5]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	Br(C[6a]C[5,6a]C[6a])	121.1670	0.000	1	121.1670	0.000	1	122.0581	1.216	8	122.2298	2.749	21	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br){1|N<3>,3|C<3>,5|H<1>}	Br(C[6a]C[5,6a]C[6a])	121.6410	0.000	1	122.6608	0.895	4	122.0581	1.216	8	122.2298	2.749	21	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br){1|N<3>,4|C<3>,4|H<1>}	Br(C[6a]C[5,6a]C[6a])	123.1080	0.000	1	122.6608	0.895	4	122.0581	1.216	8	122.2298	2.749	21	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	Br(C[6a]C[5,6a]C[6a])	122.9470	1.131	2	122.6608	0.895	4	122.0581	1.216	8	122.2298	2.749	21	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6]C[5]C[6]S[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5,6a](C[5,6]C[5]C[6]S[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	Br(C[6a]C[5,6a]C[6a])	122.2360	0.011	2	122.2360	0.000	2	122.0581	1.216	8	122.2298	2.749	21	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	Br	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:Br-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(Br)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br)	Br(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(Br){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]Br){1|C<2>,1|O<1>,3|H<1>,4|C<3>}	Br(C[6a]C[5,6a]C[6a])	120.1830	0.000	1	120.1830	0.000	1	122.0581	1.216	8	122.2298	2.749	21	120.4861	4.538	170	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Br	3:2:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-2:Br-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(Br)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]Br)(N[5a]C[5a]S)	Br(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(Br){1|S<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]Br)(N[5a]C[5a]S){2|C<3>,2|H<1>}	Br(C[6a]C[5a,6a]N[6a])	121.9900	0.000	1	121.9900	0.000	1	121.9900	0.000	1	122.2885	0.178	2	120.3349	3.203	68	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Br	3:2:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-2:Br-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Br)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]N[6a]Br)	Br(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(Br){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]N[6a]Br){1|H<1>,3|C<3>}	Br(C[6a]C[5a,6a]N[6a])	122.5870	0.000	1	122.5870	0.000	1	122.5870	0.000	1	122.2885	0.178	2	120.3349	3.203	68	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Br	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(Br)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]Br)	Br(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(Br){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]Br){2|H<1>,3|C<3>}	Br(C[6a]C[5a,6a]C[6a])	119.3980	0.000	1	119.3980	0.000	1	119.3980	0.000	1	119.0520	0.091	3	120.3349	3.203	68	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Br	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(Br)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]Br)	Br(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(Br){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]Br){2|H<1>,3|C<3>}	Br(C[6a]C[5a,6a]C[6a])	118.8790	0.049	2	118.8790	0.002	2	118.8790	0.002	2	119.0520	0.091	3	120.3349	3.203	68	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Br	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5a,6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(Br)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]Br)(O[5a]C[5a])	Br(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(Br){1|H<1>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]Br)(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	Br(C[6a]C[5a,6a]2)	121.6950	0.000	1	121.6950	0.000	1	121.6950	0.000	1	119.4938	1.131	34	120.3349	3.203	68	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Br	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a,6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(Br)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]Br)(S[5a]C[5a])	Br(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(Br){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]Br)(S[5a]C[5a]){2|H<1>,3|C<3>}	Br(C[6a]C[5a,6a]C[6a,6a])	118.0435	0.091	2	118.0435	0.008	2	118.0435	0.008	2	119.4938	1.131	34	120.3349	3.203	68	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Br	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6,6a]O[5a])(C[6a]C[6a]H)(Br)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]Br)(O[5a]B[5a])	Br(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6,6a]O[5a])(C[6a]C[6a]H)(Br){1|Br<1>,1|B<4>,1|C<3>,1|N<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]Br)(O[5a]B[5a]){1|H<1>,5|C<3>}	Br(C[6a]C[5a,6a]C[6a])	119.6060	0.000	1	119.6060	0.000	1	119.6060	0.000	1	119.4938	1.131	34	120.3349	3.203	68	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Br	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(Br)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]Br)(N[5a]S[5a])	Br(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(Br){1|C<3>,1|C<4>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]Br)(N[5a]S[5a]){1|C<3>,1|C<4>,1|H<1>}	Br(C[6a]C[5a,6a]C[6a])	119.6150	0.000	1	119.6150	0.000	1	119.4639	0.823	26	119.4938	1.131	34	120.3349	3.203	68	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Br	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(Br)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]S[5a])	Br(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(Br){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]S[5a]){1|C<4>,2|C<3>}	Br(C[6a]C[5a,6a]C[6a])	117.7250	0.000	1	117.7250	0.000	1	119.4639	0.823	26	119.4938	1.131	34	120.3349	3.203	68	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Br	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]C[5a])	Br(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]C[5a]){2|H<1>,3|C<3>}	Br(C[6a]C[5a,6a]C[6a])	119.6545	0.361	4	119.5204	0.403	7	119.4639	0.823	26	119.4938	1.131	34	120.3349	3.203	68	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Br	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]C[5a])	Br(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]C[5a]){1|Br<1>,2|C<3>,2|H<1>}	Br(C[6a]C[5a,6a]C[6a])	118.2780	0.000	1	119.5204	0.403	7	119.4639	0.823	26	119.4938	1.131	34	120.3349	3.203	68	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Br	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]C[5a])	Br(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]C[5a]){2|H<1>,3|C<3>}	Br(C[6a]C[5a,6a]C[6a])	119.8735	0.402	2	119.5204	0.403	7	119.4639	0.823	26	119.4938	1.131	34	120.3349	3.203	68	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Br	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]O[5a])	Br(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]O[5a]){1|Br<1>,1|C<3>,1|H<1>}	Br(C[6a]C[5a,6a]C[6a])	119.1680	0.697	2	119.1680	0.486	2	119.4639	0.823	26	119.4938	1.131	34	120.3349	3.203	68	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Br	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]S[5a])	Br(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]S[5a]){1|C<2>,1|C<3>,1|H<1>}	Br(C[6a]C[5a,6a]C[6a])	119.0212	0.846	4	118.9894	0.542	5	119.4639	0.823	26	119.4938	1.131	34	120.3349	3.203	68	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Br	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]S[5a])	Br(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[5a,6a]C[6a])	118.8620	0.000	1	118.9894	0.542	5	119.4639	0.823	26	119.4938	1.131	34	120.3349	3.203	68	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Br	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]Br)(N[5a]C[5a])	Br(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br){2|C<3>,2|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]Br)(N[5a]C[5a]){2|C<3>,2|H<1>}	Br(C[6a]C[5a,6a]C[6a])	120.4870	0.000	1	120.4870	0.000	1	119.4639	0.823	26	119.4938	1.131	34	120.3349	3.203	68	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Br	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]Br)(N[5a]C[5a,6])	Br(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br){1|Br<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]Br)(N[5a]C[5a,6]){1|C<3>,2|C<4>,2|H<1>}	Br(C[6a]C[5a,6a]C[6a])	119.7490	0.000	1	119.7490	0.000	1	119.4639	0.823	26	119.4938	1.131	34	120.3349	3.203	68	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Br	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(Br)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]S[5a])	Br(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(Br){1|C<3>,1|N<2>,1|N<3>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]S[5a]){1|Br<1>,1|C<3>,1|N<3>}	Br(C[6a]C[5a,6a]C[6a])	119.3815	0.912	6	119.3815	0.831	6	119.4639	0.823	26	119.4938	1.131	34	120.3349	3.203	68	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Br	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(Br)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]S[5a])	Br(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(Br){1|C<3>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<2>}	Br(C[6a]C[5a,6a]C[6a])	120.8060	0.000	1	121.1355	0.217	2	119.4639	0.823	26	119.4938	1.131	34	120.3349	3.203	68	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Br	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(Br)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]S[5a])	Br(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(Br){1|C<3>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]S[5a]){1|Cl<1>,1|H<1>,1|N<2>}	Br(C[6a]C[5a,6a]C[6a])	121.4650	0.000	1	121.1355	0.217	2	119.4639	0.823	26	119.4938	1.131	34	120.3349	3.203	68	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Br	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(Br)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(O[5a]C[5a])	Br(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(Br){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(O[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	Br(C[6a]C[5a,6a]C[6a])	121.1685	0.114	2	121.1685	0.013	2	121.1685	0.013	2	119.4938	1.131	34	120.3349	3.203	68	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Br	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]O)(Br)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]Br)(S[5a]C[5a])	Br(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]O)(Br){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]Br)(S[5a]C[5a]){1|Br<1>,1|O<2>,2|C<3>}	Br(C[6a]C[5a,6a]C[6a])	118.6920	0.000	1	118.6920	0.000	1	118.6920	0.000	1	119.4938	1.131	34	120.3349	3.203	68	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Br	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:Br-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(Br)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(N[5a]C[5a])	Br(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(Br){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	Br(C[6a]C[5a,6a]C[6a])	118.3090	0.000	1	118.3090	0.000	1	118.3090	0.000	1	119.4938	1.131	34	120.3349	3.203	68	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Br	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(Br)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]Br)(C[5a]C[5a]H)	Br(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(Br){1|H<1>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]Br)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	Br(C[6a]C[5a,6a]2)	121.6440	0.000	1	121.6440	0.000	1	121.9316	0.064	5	121.3190	4.006	29	120.3349	3.203	68	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Br	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])2(Br)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]Br)(C[5a]N[5a]O)	Br(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(Br){2|N<3>,2|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]Br)(C[5a]N[5a]O){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	Br(C[6a]C[5a,6a]2)	122.0035	0.224	4	122.0035	0.050	4	121.9316	0.064	5	121.3190	4.006	29	120.3349	3.203	68	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Br	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(Br)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)	Br(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(Br){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	Br(C[6a]C[5a,6a]C[6a])	119.7950	0.000	1	119.7950	0.000	1	119.7950	0.000	1	121.3190	4.006	29	120.3349	3.203	68	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Br	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Br)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[4])(C[6a]C[6a]Br)	Br(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[4])(C[6a]C[6a]Br){2|C<3>,2|C<4>,4|H<1>}	Br(C[6a]C[5a,6a]C[6a])	121.9490	0.000	1	121.9490	0.000	1	121.9490	0.000	1	121.3190	4.006	29	120.3349	3.203	68	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Br	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(Br)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[6a]C[6a]Br)(C[5a]C[5a]H)	Br(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(Br){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[6a]C[6a]Br)(C[5a]C[5a]H){1|H<1>,3|C<3>}	Br(C[6a]C[5a,6a]C[6a])	118.3600	0.000	1	118.3600	0.000	1	121.0176	1.866	8	121.3190	4.006	29	120.3349	3.203	68	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Br	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Br)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(C[5a]C[5a]C)	Br(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(C[5a]C[5a]C){1|C<3>,1|S<4>,3|H<1>}	Br(C[6a]C[5a,6a]C[6a])	121.6200	0.194	2	121.4610	0.102	4	121.0176	1.866	8	121.3190	4.006	29	120.3349	3.203	68	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Br	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Br)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(C[5a]C[5a]C)	Br(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(C[5a]C[5a]C){1|C<3>,4|H<1>}	Br(C[6a]C[5a,6a]C[6a])	121.3020	0.407	2	121.4610	0.102	4	121.0176	1.866	8	121.3190	4.006	29	120.3349	3.203	68	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Br	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Br)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(C[5a]C[5a]H)	Br(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Br){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(C[5a]C[5a]H){2|C<3>,3|H<1>}	Br(C[6a]C[5a,6a]C[6a])	119.5610	0.000	1	119.5610	0.000	1	121.0176	1.866	8	121.3190	4.006	29	120.3349	3.203	68	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Br	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(Br)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(C[5a]C[5a]O)	Br(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(Br){1|Br<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(C[5a]C[5a]O){1|O<2>,2|C<3>,2|H<1>}	Br(C[6a]C[5a,6a]C[6a])	122.1880	0.219	2	122.1880	0.048	2	121.0176	1.866	8	121.3190	4.006	29	120.3349	3.203	68	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Br	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(N[5a]C[5a]C)	Br(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	Br(C[6a]C[5a,6a]C[6a])	122.4850	0.000	1	122.4850	0.000	1	120.9014	5.056	8	121.3190	4.006	29	120.3349	3.203	68	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Br	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(N[5a]C[5a]H)	Br(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	Br(C[6a]C[5a,6a]C[6a])	118.3250	0.000	1	118.9950	0.898	2	120.9014	5.056	8	121.3190	4.006	29	120.3349	3.203	68	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Br	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(N[5a]C[5a]H)	Br(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	Br(C[6a]C[5a,6a]C[6a])	119.6650	0.000	1	118.9950	0.898	2	120.9014	5.056	8	121.3190	4.006	29	120.3349	3.203	68	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Br	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(N[5a]N[5a]C)	Br(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br){1|Br<1>,1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(N[5a]N[5a]C){1|C<3>,1|O<2>,2|H<1>}	Br(C[6a]C[5a,6a]C[6a])	123.0620	0.102	2	123.0620	0.010	2	120.9014	5.056	8	121.3190	4.006	29	120.3349	3.203	68	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Br	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(N[5a]N[5a]H)	Br(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(N[5a]N[5a]H){1|C<3>,1|N<3>,2|H<1>}	Br(C[6a]C[5a,6a]C[6a])	118.3610	0.000	1	118.3610	0.000	1	120.9014	5.056	8	121.3190	4.006	29	120.3349	3.203	68	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Br	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]C[5a]H)	Br(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(N[5a]C[5a]H){1|Br<1>,1|H<1>,2|C<3>}	Br(C[6a]C[5a,6a]C[6a])	119.0260	0.000	1	119.0260	0.000	1	120.9014	5.056	8	121.3190	4.006	29	120.3349	3.203	68	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Br	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]Br)(N[5a]C[5a]C)	Br(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]Br)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	Br(C[6a]C[5a,6a]C[6a])	123.2250	0.000	1	123.2250	0.000	1	120.9014	5.056	8	121.3190	4.006	29	120.3349	3.203	68	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Br	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Br)	Br(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Br){1|Br<1>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]Br){2|H<1>,3|C<3>}	Br(C[6a]C[5a,6a]C[6a])	124.9103	0.456	3	124.9103	0.208	3	124.9103	0.208	3	121.3190	4.006	29	120.3349	3.203	68	120.4429	4.146	238
643	727	924	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	Br	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:Br-1:	N[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(Br)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(C[5a]C[5a]C)	Br(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(Br){1|C<2>,1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	Br(C[6a]C[5a,6a]C[6a])	118.9223	0.455	3	118.9223	0.207	3	118.9223	0.207	3	121.3190	4.006	29	120.3349	3.203	68	120.4429	4.146	238
643	727	927	0:SP2_SP2_SP2	C[6a]	C[5a]	B[6a]	3:3:3:	3:3:3:	3:3:3:	B[6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a](B[6a]C[6a]N[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[5a](C[6a]B[6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H)	B[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]H)	C[6a](B[6a]C[6a]N[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){4|H<1>,5|C<3>}	C[5a](C[6a]B[6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|N<3>,2|H<1>,3|C<3>}	B[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]H){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	124.5780	0.597	2	124.5780	0.356	2	124.5780	0.356	2	124.5780	0.356	2	124.5780	0.356	2	124.5780	0.356	2
643	727	927	6:SP2_SP2_SP2	C[6,6a,6a]	C[5a,6a,6a]	B[6,6,6a]	3:3:3:	3:3:3:	3:3:3:	B[6,6,6a]-3:C[5a,6a,6a]-3:C[6,6a]-3:	C[6,6a,6a]-3:N[5a,6a]-3:C[5a,6a]-3:	C[6,6a,6a]-3:C[6,6a,6a]-3:C[6,6,6a]-3:	C[6,6a,6a](B[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5a,6a,6a]C[5a,6a]N[5a,6a])(C[6,6a]C[6a]C[6])	C[5a,6a,6a](C[6,6a,6a]B[6,6,6a]C[6,6a])(N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])	B[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)	C[6,6a,6a](B[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5a,6a,6a]C[5a,6a]N[5a,6a])(C[6,6a]C[6a]C[6]){1|H<1>,2|C<4>,7|C<3>}	C[5a,6a,6a](C[6,6a,6a]B[6,6,6a]C[6,6a])(N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	B[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2){1|N<3>,2|C<4>,6|C<3>}	116.5070	0.000	1	116.5070	0.000	1	116.5070	0.000	1	116.5070	0.000	1	116.5070	0.000	1	116.5070	0.000	1
643	727	929	0:SP2_SP2_SP2	C[6a]	C[5a]	S[6a]	3:2:3:	3:3:2:	3:3:	C[6a]-3:S[6a]-2:C[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]H)(S[6a]C[6a,6a])(C[5a]N[5a]2)	C[5a](C[6a]C[6a]S[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	S[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[5a]C[6a])	C[6a](C[6a]C[6a,6a]H)(S[6a]C[6a,6a])(C[5a]N[5a]2){1|C<4>,5|C<3>}	C[5a](C[6a]C[6a]S[6a])(N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|H<1>,1|N<2>,3|C<3>}	S[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[5a]C[6a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	110.9070	0.000	1	110.9070	0.000	1	110.9070	0.000	1	110.9070	0.000	1	110.9070	0.000	1	110.9070	0.000	1
643	727	929	6:SP2_SP2_SP2	C[6a,6a]	C[5a,6a,6a]	S[6a]	3:2:3:	3:3:3:	3:3:	C[5a,6a,6a]-3:S[6a]-2:C[6a]-3:	N[5a,6a]-3:C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[5a,6a,6a]C[5a,6a]N[5a,6a])(S[6a]C[6a,6a])(C[6a]C[6a]H)	C[5a,6a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a]S[6a])	S[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5a,6a,6a]C[5a,6a]N[5a,6a])(S[6a]C[6a,6a])(C[6a]C[6a]H){1|Cl<1>,5|C<3>}	C[5a,6a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a,6a]C[6a]S[6a]){2|H<1>,5|C<3>}	S[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	119.5470	0.000	1	119.5470	0.000	1	119.5470	0.000	1	119.5470	0.000	1	119.5470	0.000	1	118.6130	1.745	2
643	727	929	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	S[6a]	3:2:1:	3:3:3:	3:3:	C[5a,6a]-3:S[6a]-2:O-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(S[6a]C[6a])(O)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]S[6a]O)	S[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(S[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|S<2>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]S[6a]O){1|C<3>,2|C<4>,2|H<1>}	S[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N){2|C<3>}	117.6790	0.000	1	117.6790	0.000	1	117.6790	0.000	1	117.6790	0.000	1	117.6790	0.000	1	118.6130	1.745	2
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6,6a]	C	3:2:3:	3:4:3:	3:3:1:	C[5,6,6a]-3:N[6a]-2:C-3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(N[6a]C[6a,6a])(CNO)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,5,6]C[5,5]H)(C[6a]N[6a]C)	C(C[6a]C[5,6,6a]N[6a])(NCH)(O)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(N[6a]C[6a,6a])(CNO){1|H<1>,2|C<3>,3|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,5,6]C[5,5]H)(C[6a]N[6a]C){2|C<3>,2|C<4>,4|H<1>}	C(C[6a]C[5,6,6a]N[6a])(NCH)(O)	121.6670	0.000	1	121.6670	0.000	1	121.6670	0.000	1	121.6670	0.000	1	121.8219	1.992	18	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5,6,6a]-3:C[6a]-3:C-3:	Ge[5,5,6]-3:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](C[5,6,6a]C[5,6,6a]Ge[5,5,6])(C[6a]C[6a]H)(CHN)	C[5,6,6a](Ge[5,5,6]N[5,5,6]N[5,5])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]C)	C(C[6a]C[5,6,6a]C[6a])(NC)(H)	C[6a](C[5,6,6a]C[5,6,6a]Ge[5,5,6])(C[6a]C[6a]H)(CHN){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|N<4>}	C[5,6,6a](Ge[5,5,6]N[5,5,6]N[5,5])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]C){1|Ge<2>,1|C<3>,3|C<4>,3|H<1>}	C(C[6a]C[5,6,6a]C[6a])(NC)(H)	121.1090	0.000	1	121.1090	0.000	1	121.1090	0.000	1	121.1090	0.000	1	121.8219	1.992	18	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6,6a]	C	3:3:3:	3:4:3:	3:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C-3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(CC[5a]2)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]C)	C(C[5a]C[5a]N[5a])2(C[6a]C[5,6,6a]2)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(CC[5a]2){1|C<3>,2|H<1>,6|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]C){1|C<3>,2|C<4>,6|H<1>}	C(C[5a]C[5a]N[5a])2(C[6a]C[5,6,6a]2)	121.8762	1.490	16	121.8762	2.219	16	121.8762	2.219	16	121.8762	2.219	16	121.8219	1.992	18	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:2:3:	3:3:3:	3:2:1:	C[5,6a]-3:N[6a]-2:C-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[5,6a]C[5,6a]2)(N[6a]C[6a])(COO)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]C)	C(C[6a]C[5,6a]N[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]2)(N[6a]C[6a])(COO){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]C){1|H<1>,5|C<3>}	C(C[6a]C[5,6a]N[6a])(OC)(O)	122.7550	0.000	1	122.7550	0.000	1	124.2907	0.787	6	124.2907	0.787	6	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:2:3:	3:3:3:	3:2:1:	C[5,6a]-3:N[6a]-2:C-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(COO)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]C)	C(C[6a]C[5,6a]N[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(COO){4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]C){1|C<4>,1|N<2>,4|C<3>}	C(C[6a]C[5,6a]N[6a])(OC)(O)	125.4030	0.000	1	124.5978	0.277	5	124.2907	0.787	6	124.2907	0.787	6	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:2:3:	3:3:3:	3:2:1:	C[5,6a]-3:N[6a]-2:C-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(COO)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]C)	C(C[6a]C[5,6a]N[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(COO){4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]C){1|H<1>,1|N<2>,4|C<3>}	C(C[6a]C[5,6a]N[6a])(OC)(O)	124.3965	0.314	4	124.5978	0.277	5	124.2907	0.787	6	124.2907	0.787	6	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:2:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[6a]-2:C-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(CNO)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]C)	C(C[6a]C[5,6a]N[6a])(NHH)(O)	C[6a](C[5,6a]C[5,6a]2)(N[6a]N[6a])(CNO){4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]N[6a]C){1|H<1>,1|N<2>,4|C<3>}	C(C[6a]C[5,6a]N[6a])(NHH)(O)	124.5090	1.085	4	124.5090	1.178	4	124.5090	1.178	4	124.5090	1.178	4	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:2:3:	3:3:4:	3:2:1:	C[5,6a]-3:N[6a]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O-2:O-1:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(COO)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]C)(C[5]C[5]CH)	C(C[6a]C[5,6a]N[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(COO){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]C)(C[5]C[5]CH){3|C<3>,3|H<1>}	C(C[6a]C[5,6a]N[6a])(OC)(O)	123.5890	0.000	1	123.5890	0.000	1	122.9640	0.781	2	122.9640	0.781	2	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:2:3:	3:3:4:	3:2:1:	C[5,6a]-3:N[6a]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O-2:O-1:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(COO)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH)	C(C[6a]C[5,6a]N[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(COO){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]C)(C[5]C[5]HH){3|C<3>,3|H<1>}	C(C[6a]C[5,6a]N[6a])(OC)(O)	122.3390	0.000	1	122.3390	0.000	1	122.9640	0.781	2	122.9640	0.781	2	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:2:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:Ge[5]-2:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](C[5,6a]C[5,6a]Ge[5])(C[6a]C[6a]H)(CHN)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(Ge[5]N[5,5,6])(C[6a]C[6a]C)	C(C[6a]C[5,6a]C[6a])(NC)(H)	C[6a](C[5,6a]C[5,6a]Ge[5])(C[6a]C[6a]H)(CHN){1|C<3>,1|C<4>,1|H<1>,1|N<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(Ge[5]N[5,5,6])(C[6a]C[6a]C){1|Ge<3>,1|C<3>,2|C<4>,3|H<1>}	C(C[6a]C[5,6a]C[6a])(NC)(H)	120.4510	0.000	1	120.4510	0.000	1	120.4510	0.000	1	120.4510	0.000	1	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:2:3:	3:4:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[6a]-3:C-4:O-1:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(CCO)	C[5,6a](C[5,6a]C[5,6]C[6a])(O[5]C[5,6,6])(C[6a]C[6a]C)	C(C[6a]C[5,6a]C[6a])(CH3)(O)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(CCO){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(O[5]C[5,6,6])(C[6a]C[6a]C){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C(C[6a]C[5,6a]C[6a])(CH3)(O)	123.5350	0.000	1	123.5350	0.000	1	123.5350	0.000	1	123.5350	0.000	1	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:2:	3:1:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:H-1:O-1:	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]C)(CHO)	C[5,6a](C[5,6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]C)(O[5]C[5,6])	C(C[6a]C[5,6a]C[6a])(H)(O)	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]C)(CHO){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]C)(O[5]C[5,6]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(H)(O)	119.5670	0.000	1	119.5670	0.000	1	119.5670	0.000	1	119.5127	2.891	3	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:2:	3:1:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:H-1:O-1:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(CHO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5,6])	C(C[6a]C[5,6a]C[6a])(H)(O)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(CHO){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5,6]){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6a]C[5,6a]C[6a])(H)(O)	117.7860	0.000	1	117.7860	0.000	1	119.4855	5.777	2	119.5127	2.891	3	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:2:	3:1:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:H-1:O-1:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CHO)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5])	C(C[6a]C[5,6a]C[6a])(H)(O)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CHO){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,4|H<1>}	C(C[6a]C[5,6a]C[6a])(H)(O)	121.1850	0.000	1	121.1850	0.000	1	119.4855	5.777	2	119.5127	2.891	3	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:2:	3:2:1:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:O-2:O-1:	C[6a](C[5,6a]C[5,6a]S[5])2(COO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]C)(S[5]C[5])	C(C[6a]C[5,6a]2)(OC)(O)	C[6a](C[5,6a]C[5,6a]S[5])2(COO){1|C<3>,2|C<4>,2|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]C)(S[5]C[5]){1|S<2>,2|C<3>,2|C<4>}	C(C[6a]C[5,6a]2)(OC)(O)	120.6560	4.236	2	120.6560	17.940	2	120.6560	17.940	2	118.9447	9.972	9	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:2:	3:2:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:O-2:O-1:	C[6a](C[5,6a]C[5,6,6a]S[5])(C[6a]C[6a]H)(COO)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(S[5]C[5])	C(C[6a]C[5,6a]C[6a])(OH)(O)	C[6a](C[5,6a]C[5,6,6a]S[5])(C[6a]C[6a]H)(COO){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(S[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	C(C[6a]C[5,6a]C[6a])(OH)(O)	119.4090	0.000	1	119.4090	0.000	1	119.4090	0.000	1	118.9447	9.972	9	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:2:	3:2:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a,6a]-3:C[6a]-3:Se[5]-2:	C[6a]-3:N-2:H-1:	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6a]H)(CHN)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C)(Se[5]Se[5])	C(C[6a]C[5,6a]C[6a])(NC)(H)	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6a]H)(CHN){1|Se<2>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C)(Se[5]Se[5]){1|H<1>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(NC)(H)	116.5940	0.000	1	116.5940	0.000	1	116.5940	0.000	1	118.9447	9.972	9	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:2:	3:2:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:O-2:O-1:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5,6])	C(C[6a]C[5,6a]C[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(COO){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5,6]){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C(C[6a]C[5,6a]C[6a])(OC)(O)	118.7250	0.000	1	118.7250	0.000	1	120.9753	3.893	3	118.9447	9.972	9	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:2:	3:2:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:O-2:O-1:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(COO)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5])	C(C[6a]C[5,6a]C[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(COO){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5]){2|C<3>,3|C<4>}	C(C[6a]C[5,6a]C[6a])(OC)(O)	121.7930	0.000	1	121.7930	0.000	1	120.9753	3.893	3	118.9447	9.972	9	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:2:	3:2:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:O-2:O-1:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(COO)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5])	C(C[6a]C[5,6a]C[6a])(OH)(O)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(COO){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,4|H<1>}	C(C[6a]C[5,6a]C[6a])(OH)(O)	122.4080	0.000	1	122.4080	0.000	1	120.9753	3.893	3	118.9447	9.972	9	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:2:	3:2:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:N-2:H-1:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CHN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(S[5]N[5])	C(C[6a]C[5,6a]C[6a])(NC)(H)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CHN){1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(S[5]N[5]){1|C<3>,1|C<4>,3|H<1>}	C(C[6a]C[5,6a]C[6a])(NC)(H)	115.1305	0.993	2	115.1305	0.987	2	115.1305	0.987	2	118.9447	9.972	9	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:2:	3:3:1:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(CCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(O[5]C[5])	C(C[6a]C[5,6a]2)(CHN)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(CCH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(O[5]C[5]){1|C<3>,1|C<4>,5|H<1>}	C(C[6a]C[5,6a]2)(CHN)(H)	124.7030	0.000	1	124.7030	0.000	1	124.7030	0.000	1	121.9770	9.728	15	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:2:	3:3:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:C-3:H-1:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]Se[5])	C(C[6a]C[5,6a]C[6a])(CC[6a]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCH){1|Se<2>,1|C<3>,1|H<1>,1|N<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]Se[5]){1|H<1>,2|C<3>}	C(C[6a]C[5,6a]C[6a])(CC[6a]H)(H)	121.2667	2.518	6	121.2667	6.338	6	121.2667	6.338	6	121.9770	9.728	15	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:2:	3:3:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C-3:H-1:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(CCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5,6])	C(C[6a]C[5,6a]C[6a])(CCH)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(CCH){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5,6]){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6a]C[5,6a]C[6a])(CCH)(H)	122.9060	0.000	1	122.9060	0.000	1	120.9087	3.064	3	121.9770	9.728	15	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:2:	3:3:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C-3:H-1:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CCH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5])	C(C[6a]C[5,6a]C[6a])(CC[6a]C)(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CCH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,4|H<1>}	C(C[6a]C[5,6a]C[6a])(CC[6a]C)(H)	119.9100	0.380	2	119.9100	0.145	2	120.9087	3.064	3	121.9770	9.728	15	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:2:	3:3:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[5]-3:H-1:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(CC[5]H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5])	C(C[6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(CC[5]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	C(C[6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(H)	118.7990	0.000	1	118.7990	0.000	1	118.7990	0.000	1	121.9770	9.728	15	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:2:	3:3:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:N-3:O-1:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CNO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5])	C(C[6a]C[5,6a]C[6a])(NC[6a]H)(O)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,1|C<4>,5|H<1>}	C(C[6a]C[5,6a]C[6a])(NC[6a]H)(O)	126.1310	0.998	3	126.1310	0.995	3	126.1310	0.995	3	121.9770	9.728	15	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:2:	3:3:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:N-3:O-1:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CNO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(S[5]C[5])	C(C[6a]C[5,6a]C[6a])(NCC)(O)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CNO){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(S[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(NCC)(O)	117.4340	0.000	1	117.4340	0.000	1	117.4340	0.000	1	121.9770	9.728	15	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])2(CC[6a]2)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]C)(S[5]C[5])	C(C[6a]C[5,6a]2)3	C[6a](C[5,6a]C[5,6a]S[5])2(CC[6a]2){1|C<3>,2|C<4>,2|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]C)(S[5]C[5]){1|S<2>,2|C<3>,2|C<4>}	C(C[6a]C[5,6a]2)3	121.1633	0.458	6	121.1633	0.210	6	121.1633	0.210	6	121.1633	0.210	6	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:2:	3:4:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C-4:O-1:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(CCO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(O[5]C[5,5])	C(C[6a]C[5,6a]C[6a])(CCCH)(O)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(CCO){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(O[5]C[5,5]){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C(C[6a]C[5,6a]C[6a])(CCCH)(O)	125.7490	0.470	2	125.7490	0.220	2	125.6227	0.143	12	125.6227	0.143	12	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:2:	3:4:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C-4:O-1:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(CCO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)(O[5]C[5,6])	C(C[6a]C[5,6a]C[6a])(CCCH)(O)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(CCO){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)(O[5]C[5,6]){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C(C[6a]C[5,6a]C[6a])(CCCH)(O)	125.5790	0.341	3	125.6668	0.108	4	125.6227	0.143	12	125.6227	0.143	12	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:2:	3:4:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C-4:O-1:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(CCO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)(O[5]C[5,6])	C(C[6a]C[5,6a]C[6a])(CCCH)(O)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(CCO){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)(O[5]C[5,6]){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C(C[6a]C[5,6a]C[6a])(CCCH)(O)	125.9300	0.000	1	125.6668	0.108	4	125.6227	0.143	12	125.6227	0.143	12	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:2:	3:4:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C-4:O-1:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(CCO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)(O[5]C[5,6])	C(C[6a]C[5,6a]C[6a])(CCHH)(O)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(CCO){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)(O[5]C[5,6]){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C(C[6a]C[5,6a]C[6a])(CCHH)(O)	126.3460	0.000	1	126.3460	0.000	1	125.6227	0.143	12	125.6227	0.143	12	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:2:	3:4:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C-4:O-1:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(CCO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)(O[5]C[5,6])	C(C[6a]C[5,6a]C[6a])(CH3)(O)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(CCO){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)(O[5]C[5,6]){1|C<4>,2|O<2>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(CH3)(O)	125.3922	0.224	5	125.3922	0.050	5	125.6227	0.143	12	125.6227	0.143	12	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:2:	3:4:3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C-4:C-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(CCC)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5])	C(C[6a]C[5,6a]C[6a])(CCHH)(CCH)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(CCC){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	C(C[6a]C[5,6a]C[6a])(CCHH)(CCH)	122.7260	0.000	1	122.7260	0.000	1	122.7260	0.000	1	122.7260	0.000	1	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:3:	3:1:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:H-1:O-1:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CHO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C(C[6a]C[5,6a]C[6a])(H)(O)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CHO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(H)(O)	124.2220	0.000	1	124.2220	0.000	1	124.2220	0.000	1	124.2220	0.000	1	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[6a,6a]-3:C-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:O-2:O-1:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a,6a]C[6a,6a]C[6a])(COO)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]C)(C[5]N[5]O)	C(C[6a]C[6a,6a]C[5,6a])(OC)(O)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a,6a]C[6a,6a]C[6a])(COO){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]C)(C[5]N[5]O){1|C<4>,4|C<3>}	C(C[6a]C[6a,6a]C[5,6a])(OC)(O)	121.1317	0.179	4	121.1317	0.032	4	121.1317	0.032	4	122.9686	8.195	20	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(COO)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[5,6a]C[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(COO){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|H<1>,6|C<3>}	C(C[6a]C[5,6a]C[6a])(OC)(O)	126.9610	0.000	1	126.9610	0.000	1	124.4313	2.311	6	122.9686	8.195	20	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(COO)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[5,6a]C[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(COO){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){3|H<1>,4|C<3>}	C(C[6a]C[5,6a]C[6a])(OC)(O)	122.5050	0.000	1	122.5050	0.000	1	124.4313	2.311	6	122.9686	8.195	20	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(COO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C(C[6a]C[5,6a]C[6a])(OH)(O)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(COO){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){3|C<3>,5|H<1>}	C(C[6a]C[5,6a]C[6a])(OH)(O)	124.3757	0.790	3	124.3757	0.624	3	124.4313	2.311	6	122.9686	8.195	20	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(COO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]C)	C(C[6a]C[5,6a]C[6a])(OC[6a])(O)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(COO){1|H<1>,1|P<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]C){3|H<1>,4|C<3>}	C(C[6a]C[5,6a]C[6a])(OC[6a])(O)	123.9950	0.000	1	123.9950	0.000	1	124.4313	2.311	6	122.9686	8.195	20	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(COO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]C)	C(C[6a]C[5,6a]C[6a])(OH)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(COO){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(OH)(O)	127.8720	0.000	1	127.8720	0.000	1	127.8720	0.000	1	122.9686	8.195	20	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:O-2:O-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O)	C(C[6a]C[5,6a]C[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(COO){1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O){1|C<4>,1|O<1>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(OC)(O)	120.5360	0.750	3	120.5360	0.562	3	123.2169	8.015	7	122.9686	8.195	20	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:O-2:O-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O)	C(C[6a]C[5,6a]C[6a])(OH)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(COO){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O){1|C<3>,1|C<4>,4|H<1>}	C(C[6a]C[5,6a]C[6a])(OH)(O)	127.0340	0.000	1	126.6515	0.293	2	123.2169	8.015	7	122.9686	8.195	20	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:O-2:O-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O)	C(C[6a]C[5,6a]C[6a])(OH)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(COO){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(OH)(O)	126.2690	0.000	1	126.6515	0.293	2	123.2169	8.015	7	122.9686	8.195	20	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:O-2:O-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]O)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O)	C(C[6a]C[5,6a]C[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]O)(COO){1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	C(C[6a]C[5,6a]C[6a])(OC)(O)	124.4480	0.000	1	123.8035	0.831	2	123.2169	8.015	7	122.9686	8.195	20	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:O-2:O-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]O)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O)	C(C[6a]C[5,6a]C[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]O)(COO){1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O){1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	C(C[6a]C[5,6a]C[6a])(OC)(O)	123.1590	0.000	1	123.8035	0.831	2	123.2169	8.015	7	122.9686	8.195	20	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:P[5]-3:	C[6a]-3:N-2:H-1:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CHN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(P[5]N[5]O)	C(C[6a]C[5,6a]C[6a])(NC[6a])(H)	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(CHN){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(P[5]N[5]O){2|C<3>,4|H<1>}	C(C[6a]C[5,6a]C[6a])(NC[6a])(H)	121.4430	0.000	1	121.4430	0.000	1	121.4430	0.000	1	122.9686	8.195	20	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:Se[5]-3:C[6a]-3:	C[6a]-3:N-2:O-1:	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(CNO)	C[5,6a](C[5,6a]C[6a]C[5])(Se[5]C[6a]N[5])(C[6a]C[6a]C)	C(C[6a]C[5,6a]C[6a])(NC[6a])(O)	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(CNO){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(Se[5]C[6a]N[5])(C[6a]C[6a]C){1|O<1>,2|H<1>,4|C<3>}	C(C[6a]C[5,6a]C[6a])(NC[6a])(O)	116.4240	0.000	1	116.4240	0.000	1	116.4240	0.000	1	122.9686	8.195	20	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C-3:H-1:	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(CCH)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(C[5]O[5]O)	C(C[6a]C[5,6a]C[6a])(CCC)(H)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(CCH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]C)(C[5]O[5]O){1|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(CCC)(H)	119.6460	0.000	1	119.6460	0.000	1	119.6460	0.000	1	121.0372	6.275	14	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CCH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C(C[6a]C[5,6a]C[6a])(CCC)(H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CCH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(CCC)(H)	122.7550	0.000	1	122.7550	0.000	1	122.7550	0.000	1	121.0372	6.275	14	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C-3:H-1:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	C(C[6a]C[5,6a]C[6a])(CCH)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|C<3>,6|H<1>}	C(C[6a]C[5,6a]C[6a])(CCH)(H)	121.6330	0.000	1	121.6330	0.000	1	120.4810	8.194	3	121.0372	6.275	14	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C-3:H-1:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]S)	C(C[6a]C[5,6a]C[6a])(CCH)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]S){1|C<3>,6|H<1>}	C(C[6a]C[5,6a]C[6a])(CCH)(H)	122.5880	0.000	1	122.5880	0.000	1	120.4810	8.194	3	121.0372	6.275	14	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C-3:H-1:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]S[5]H)	C(C[6a]C[5,6a]C[6a])(CC[6a]C)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCH){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]S[5]H){2|C<3>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(CC[6a]C)(H)	117.2220	0.000	1	117.2220	0.000	1	120.4810	8.194	3	121.0372	6.275	14	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:N-3:H-1:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CHN)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]C[5]Mn)	C(C[6a]C[5,6a]C[6a])(NC[6a]Mn)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CHN){1|Mn<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]C[5]Mn){1|C<4>,2|C<3>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(NC[6a]Mn)(H)	124.3290	0.290	2	124.3290	0.084	2	124.3290	0.084	2	121.0372	6.275	14	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:N-3:O-1:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CNO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]C[5]Ni)	C(C[6a]C[5,6a]C[6a])(NC[6a]Ni)(O)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CNO){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]C[5]Ni){1|C<4>,2|C<3>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(NC[6a]Ni)(O)	121.9737	0.569	3	121.9737	0.324	3	121.9737	0.324	3	121.0372	6.275	14	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCH)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C)	C(C[6a]C[5,6a]C[6a])(CC[6a]H)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CCH){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C){1|N<2>,2|C<3>,6|H<1>}	C(C[6a]C[5,6a]C[6a])(CC[6a]H)(H)	121.3240	0.000	1	121.3240	0.000	1	121.3240	0.000	1	121.0372	6.275	14	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C-3:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]C)(CC[6a]O)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]C)(CC[6a]O){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O)	115.6480	0.000	1	115.6480	0.000	1	115.6480	0.000	1	121.0372	6.275	14	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C-3:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:N-3:O-1:	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]N[6a]O)(CNO)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H)	C(C[6a]C[5,6a]C[6a])(NCH)(O)	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]N[6a]O)(CNO){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H){1|N<3>,2|O<1>,4|H<1>}	C(C[6a]C[5,6a]C[6a])(NCH)(O)	118.9040	0.000	1	118.9040	0.000	1	118.9040	0.000	1	121.0372	6.275	14	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(CC[6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]C)	C(C[6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(CC[6a]O){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]C){3|H<1>,5|C<3>}	C(C[6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(O)	120.2220	0.000	1	120.2220	0.000	1	120.2220	0.000	1	121.0372	6.275	14	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C-3:C[6a]-3:	C[5,6a]-3:O[5]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(CC[5a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6a]Re)(C[6a]C[6a]C)	C(C[6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]O[5])(CC[5a]C[6a])(C[6a]C[6a]H){1|Re<6>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6a]Re)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	130.7170	0.464	2	130.7170	0.215	2	130.7170	0.215	2	127.3365	4.667	10	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C-3:C[6a]-3:	C[5,6a]-3:S[5]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(CC[5a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]Re)(C[6a]C[6a]C)	C(C[6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]S[5])(CC[5a]C[6a])(C[6a]C[6a]H){1|Re<6>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]Re)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	127.3160	0.885	2	127.3160	0.784	2	127.3160	0.784	2	127.3365	4.667	10	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CC[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]C)	C(C[6a]C[5,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CC[6a]2){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]C){2|H<1>,5|C<3>}	C(C[6a]C[5,6a]C[6a])2(C[6a]C[6a]2)	127.1372	0.385	4	127.1372	0.149	4	127.1372	0.149	4	127.3365	4.667	10	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:C[3]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC[6a]C[3])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[3]C[3]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC[6a]C[3]){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[3]C[3]2)	124.3750	0.052	2	124.3750	0.003	2	124.3750	0.003	2	127.3365	4.667	10	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:C-4:O-1:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CCO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C(C[6a]C[5,6a]C[6a])(CClHH)(O)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CCO){1|Cl<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){3|C<3>,5|H<1>}	C(C[6a]C[5,6a]C[6a])(CClHH)(O)	123.2905	0.941	2	123.2905	0.886	2	123.1957	0.470	3	122.7222	2.611	5	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:C-4:O-1:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CCO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C(C[6a]C[5,6a]C[6a])(CHHN)(O)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CCO){1|Cl<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){3|C<3>,5|H<1>}	C(C[6a]C[5,6a]C[6a])(CHHN)(O)	123.0060	0.000	1	123.0060	0.000	1	123.1957	0.470	3	122.7222	2.611	5	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C-4:O-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]O)	C(C[6a]C[5,6a]C[6a])(CH3)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CCO){1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]O){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(CH3)(O)	120.0340	0.000	1	120.0340	0.000	1	120.0340	0.000	1	122.7222	2.611	5	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C-4:O-1:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[5,6a]C[5])(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]C)(C[5]O[5]O)	C(C[6a]C[6a,6a]C[5,6a])(CH3)(O)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[5,6a]C[5])(CCO){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]C)(C[5]O[5]O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6a]C[6a,6a]C[5,6a])(CH3)(O)	123.9900	0.000	1	123.9900	0.000	1	123.9900	0.000	1	122.7222	2.611	5	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:3:	3:4:3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C-4:C-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[3])(CCC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]O)	C(C[6a]C[5,6a]C[6a])(CCHH)(CHH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[3])(CCC){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[6a]C[5,6a]C[6a])(CCHH)(CHH)	122.0620	0.000	1	122.0620	0.000	1	122.0620	0.000	1	122.0620	0.000	1	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:4:	3:1:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:H-1:O-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(CHO)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C(C[6a]C[5,6a]C[6a])(H)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(CHO){1|C<3>,1|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C(C[6a]C[5,6a]C[6a])(H)(O)	124.2210	0.000	1	124.2210	0.000	1	123.3405	1.551	2	123.3405	1.551	2	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:4:	3:1:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:H-1:O-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CHO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C(C[6a]C[5,6a]C[6a])(H)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CHO){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,1|S<4>,4|H<1>}	C(C[6a]C[5,6a]C[6a])(H)(O)	122.4600	0.000	1	122.4600	0.000	1	123.3405	1.551	2	123.3405	1.551	2	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:4:	3:2:1:	C[5,6a]-3:C[6,6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O-2:O-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]N[6])(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]C)(C[5]C[5]HH)	C(C[6a]C[5,6a]C[6,6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]N[6])(COO){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]C)(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C(C[6a]C[5,6a]C[6,6a])(OC)(O)	122.5090	0.000	1	122.5090	0.000	1	122.5090	0.000	1	120.9128	5.362	13	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:4:	3:2:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O-2:O-1:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]N[6a]O)(COO)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C)(C[5]C[5]HH)	C(C[6a]C[5,6a]C[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]N[6a]O)(COO){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]C)(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(OC)(O)	121.8800	0.000	1	121.8800	0.000	1	121.8800	0.000	1	120.9128	5.362	13	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:4:	3:2:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O-2:O-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6,6a]H)(COO)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C(C[6a]C[5,6a]C[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6,6a]H)(COO){1|C<3>,1|P<4>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){2|C<3>,5|H<1>}	C(C[6a]C[5,6a]C[6a])(OC)(O)	126.4620	0.000	1	126.4620	0.000	1	121.0392	6.729	9	120.9128	5.362	13	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:4:	3:2:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O-2:O-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C(C[6a]C[5,6a]C[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(COO){2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){3|C<3>,4|H<1>}	C(C[6a]C[5,6a]C[6a])(OC)(O)	120.0970	1.721	2	120.0970	2.962	2	121.0392	6.729	9	120.9128	5.362	13	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:4:	3:2:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O-2:O-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C(C[6a]C[5,6a]C[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(COO){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<4>,2|C<3>,4|H<1>}	C(C[6a]C[5,6a]C[6a])(OC)(O)	119.8180	2.514	2	119.8180	6.323	2	121.0392	6.729	9	120.9128	5.362	13	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:4:	3:2:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O-2:O-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(COO)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CC)	C(C[6a]C[5,6a]C[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(COO){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CC){2|C<3>,3|H<1>}	C(C[6a]C[5,6a]C[6a])(OC)(O)	120.3070	0.000	1	120.3070	0.000	1	121.0392	6.729	9	120.9128	5.362	13	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:4:	3:2:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O-2:O-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(COO)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HN)	C(C[6a]C[5,6a]C[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(COO){1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HN){1|C<3>,1|O<2>,4|H<1>}	C(C[6a]C[5,6a]C[6a])(OC)(O)	121.8320	2.189	2	121.8320	4.793	2	121.0392	6.729	9	120.9128	5.362	13	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:4:	3:2:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O-2:O-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]O)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C(C[6a]C[5,6a]C[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]O)(COO){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(OC)(O)	119.0900	0.000	1	119.0900	0.000	1	121.0392	6.729	9	120.9128	5.362	13	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:4:	3:2:1:	C[6a,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O-2:O-1:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(COO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C)(C[5]C[5,6a]HH)	C(C[6a]C[6a,6a]C[5,6a])(OC)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(COO){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C)(C[5]C[5,6a]HH){5|C<3>}	C(C[6a]C[6a,6a]C[5,6a])(OC)(O)	119.0625	0.177	2	119.0625	0.032	2	119.0625	0.032	2	120.9128	5.362	13	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(CCH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]C)(C[5]C[5]HH)	C(C[6a]C[5,6a]2)(CHN)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(CCH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]C)(C[5]C[5]HH){1|C<3>,1|O<2>,3|H<1>}	C(C[6a]C[5,6a]2)(CHN)(H)	120.7420	0.000	1	120.7420	0.000	1	120.7420	0.000	1	120.8286	5.621	21	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:N-3:O-1:	C[6a](C[5,6a]C[5,6a]C[5])2(CNO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(C[5]C[5]HH)	C(C[6a]C[5,6a]2)(NCH)(O)	C[6a](C[5,6a]C[5,6a]C[5])2(CNO){1|C<3>,4|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(C[5]C[5]HH){1|C<4>,2|H<1>,4|C<3>}	C(C[6a]C[5,6a]2)(NCH)(O)	121.0739	1.684	10	121.0739	2.837	10	121.0739	2.837	10	120.8286	5.621	21	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]C)(CCH)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]FF)	C(C[6a]C[5,6a]C[6a])(CC[6a]C)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]C)(CCH){1|C<3>,1|S<2>,2|C<4>,2|F<1>}	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]FF){1|C<4>,2|C<3>,4|F<1>}	C(C[6a]C[5,6a]C[6a])(CC[6a]C)(H)	116.8100	0.000	1	116.8100	0.000	1	120.5287	13.693	7	120.8286	5.621	21	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]C)(CCH)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]FF)	C(C[6a]C[5,6a]C[6a])(CC[6a]H)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]C)(CCH){1|C<3>,1|S<2>,2|C<4>,2|F<1>}	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]FF){1|C<4>,2|C<3>,4|F<1>}	C(C[6a]C[5,6a]C[6a])(CC[6a]H)(H)	119.1690	0.000	1	118.1780	1.964	2	120.5287	13.693	7	120.8286	5.621	21	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]C)(CCH)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]FF)	C(C[6a]C[5,6a]C[6a])(CC[6a]H)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]C)(CCH){2|C<3>,2|C<4>,2|F<1>}	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]FF){1|C<4>,2|C<3>,4|F<1>}	C(C[6a]C[5,6a]C[6a])(CC[6a]H)(H)	117.1870	0.000	1	118.1780	1.964	2	120.5287	13.693	7	120.8286	5.621	21	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C(C[6a]C[5,6a]C[6a])(CCH)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,1|C<4>,5|H<1>}	C(C[6a]C[5,6a]C[6a])(CCH)(H)	121.8140	0.223	2	121.8140	0.050	2	120.5287	13.693	7	120.8286	5.621	21	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CCH)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CN)	C(C[6a]C[5,6a]C[6a])(CCH)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CCH){1|C<4>,1|N<3>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CN){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C(C[6a]C[5,6a]C[6a])(CCH)(H)	123.4535	5.904	2	123.4535	34.853	2	120.5287	13.693	7	120.8286	5.621	21	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:N-3:O-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CNO)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CC)	C(C[6a]C[5,6a]C[6a])(NCH)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CNO){1|C<3>,2|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CC){1|C<3>,1|O<2>,3|H<1>}	C(C[6a]C[5,6a]C[6a])(NCH)(O)	122.2450	0.000	1	122.2450	0.000	1	120.7397	1.734	3	120.8286	5.621	21	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:N-3:O-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CNO)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CC)	C(C[6a]C[5,6a]C[6a])(NCO)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CC){1|C<3>,4|H<1>}	C(C[6a]C[5,6a]C[6a])(NCO)(O)	119.9870	0.264	2	119.9870	0.070	2	120.7397	1.734	3	120.8286	5.621	21	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:N-3:N-2:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CNN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C(C[6a]C[5,6a]C[6a])(NHH)(NH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CNN){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|N<2>,4|H<1>}	C(C[6a]C[5,6a]C[6a])(NHH)(NH)	121.4340	0.000	1	121.4340	0.000	1	121.4340	0.000	1	120.8510	0.680	2	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:4:	3:3:2:	C[6a,6a]-3:C[5,6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:N-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(CC[6a]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]C)(C[5]O[5]HH)	C(C[6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(CC[6a]N){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]C)(C[5]O[5]HH){2|C<3>,3|H<1>}	C(C[6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(NC[6a])	120.2680	0.000	1	120.2680	0.000	1	120.2680	0.000	1	120.8510	0.680	2	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-3:C-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CCC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C(C[6a]C[5,6a]C[6a])(CN[5]H)(COO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CCC){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(CN[5]H)(COO)	122.2150	0.000	1	122.2150	0.000	1	121.1084	7.997	5	121.1847	6.432	6	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-3:C-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(CCC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C(C[6a]C[5,6a]C[6a])(CN[5]H)(COO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(CCC){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(CN[5]H)(COO)	123.0150	0.000	1	123.0150	0.000	1	121.1084	7.997	5	121.1847	6.432	6	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-3:C-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(CCC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C(C[6a]C[5,6a]C[6a])(CN[5]H)(COO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(CCC){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,1|F<1>,1|O<1>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(CN[5]H)(COO)	124.1120	0.000	1	124.1120	0.000	1	121.1084	7.997	5	121.1847	6.432	6	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-3:C-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C(C[6a]C[5,6a]C[6a])(CCO)(COO)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCC){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(CCO)(COO)	118.1000	0.065	2	118.1000	0.004	2	121.1084	7.997	5	121.1847	6.432	6	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CC[6a]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CHH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CC[6a]C){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CHH)	121.5660	0.000	1	121.5660	0.000	1	121.5660	0.000	1	121.1847	6.432	6	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:4:	3:4:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-4:O-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CC)	C(C[6a]C[5,6a]C[6a])(CH3)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CCO){1|C<3>,5|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	C(C[6a]C[5,6a]C[6a])(CH3)(O)	121.1820	0.000	1	121.1820	0.000	1	122.1795	1.990	2	122.1795	1.990	2	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:4:	3:4:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-4:O-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CCO)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CC)	C(C[6a]C[5,6a]C[6a])(CH3)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CCO){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CC){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(CH3)(O)	123.1770	0.000	1	123.1770	0.000	1	122.1795	1.990	2	122.1795	1.990	2	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:4:	3:4:2:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-4:N-2:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C(C[6a]C[5,6a]C[6a])(CH3)(NS)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCN){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){2|C<3>,5|H<1>}	C(C[6a]C[5,6a]C[6a])(CH3)(NS)	123.7440	0.000	1	123.7440	0.000	1	122.8666	1.765	5	122.8666	1.765	5	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:4:	3:4:2:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-4:N-2:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCN)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C(C[6a]C[5,6a]C[6a])(CH3)(NN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCN){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,1|C<4>,3|H<1>}	C(C[6a]C[5,6a]C[6a])(CH3)(NN)	123.6995	1.088	2	123.6995	1.184	2	122.8666	1.765	5	122.8666	1.765	5	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:4:	3:4:2:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-4:N-2:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCN)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CH)	C(C[6a]C[5,6a]C[6a])(CH3)(NS)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCN){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]CH){1|C<3>,4|H<1>}	C(C[6a]C[5,6a]C[6a])(CH3)(NS)	122.0870	0.000	1	122.0870	0.000	1	122.8666	1.765	5	122.8666	1.765	5	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:4:	3:4:2:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-4:N-2:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCN)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C(C[6a]C[5,6a]C[6a])(CH3)(NS)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CCN){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|C<3>,1|C<4>,3|H<1>}	C(C[6a]C[5,6a]C[6a])(CH3)(NS)	121.1030	0.000	1	121.1030	0.000	1	122.8666	1.765	5	122.8666	1.765	5	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-4:C-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(CCC)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH)	C(C[6a]C[5,6a]C[6a])(CH3)(CCH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(CCC){1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH){1|H<1>,1|O<1>,2|C<3>}	C(C[6a]C[5,6a]C[6a])(CH3)(CCH)	123.1040	0.000	1	123.1040	0.000	1	120.5630	2.890	4	120.5630	2.890	4	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-4:C-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(CCC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH)	C(C[6a]C[5,6a]C[6a])(CH3)(CHH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(CCC){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH){2|H<1>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(CH3)(CHH)	119.6620	0.209	2	119.6620	0.044	2	120.5630	2.890	4	120.5630	2.890	4	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-4:C-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CCC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH)	C(C[6a]C[5,6a]C[6a])(CH3)(CHH)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CCC){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]O[5]HH){1|C<4>,2|C<3>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(CH3)(CHH)	119.8240	0.000	1	119.8240	0.000	1	120.5630	2.890	4	120.5630	2.890	4	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:4:3:	3:1:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:H-1:O-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CHO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]C)	C(C[6a]C[5,6a]C[6a])(H)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(CHO){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C(C[6a]C[5,6a]C[6a])(H)(O)	119.7660	0.000	1	119.7660	0.000	1	120.4890	1.045	2	121.5474	1.230	5	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:4:3:	3:1:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:H-1:O-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CHO)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C)	C(C[6a]C[5,6a]C[6a])(H)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CHO){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C(C[6a]C[5,6a]C[6a])(H)(O)	121.2120	0.000	1	121.2120	0.000	1	120.4890	1.045	2	121.5474	1.230	5	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:4:3:	3:1:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(COO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]C)	C(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(COO){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(O)2	122.2530	0.266	3	122.2530	0.071	3	122.2530	0.071	3	121.5474	1.230	5	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:4:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]C)(COO)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5]C[6a]C[5]H)(C[6a]C[6a]C)	C(C[6a]C[5,6a]C[6a])(OC)(O)	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]C)(COO){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5]C[6a]C[5]H)(C[6a]C[6a]C){2|C<4>,2|H<1>,5|C<3>}	C(C[6a]C[5,6a]C[6a])(OC)(O)	123.3400	0.000	1	123.3400	0.000	1	123.3400	0.000	1	122.7085	0.481	4	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:4:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]O)(COO)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C)	C(C[6a]C[5,6a]C[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]O)(COO){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]C){1|H<1>,2|O<2>,4|C<3>}	C(C[6a]C[5,6a]C[6a])(OC)(O)	123.1890	0.000	1	123.1890	0.000	1	122.4980	0.455	3	122.7085	0.481	4	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:4:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(COO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]C)	C(C[6a]C[5,6a]C[6a])(OH)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(COO){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(OH)(O)	121.8410	0.000	1	121.8410	0.000	1	122.4980	0.455	3	122.7085	0.481	4	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:4:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(COO)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]CH)(C[6a]C[6a]C)	C(C[6a]C[5,6a]C[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(COO){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]CH)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6a]C[5,6a]C[6a])(OC)(O)	122.4640	0.000	1	122.4640	0.000	1	122.4980	0.455	3	122.7085	0.481	4	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CNO)	C[5,6a](C[5,6a]C[6a]O[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]C)	C(C[6a]C[5,6a]C[6a])(NC[6]O)(O)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]C){1|C<3>,2|C<4>,8|H<1>}	C(C[6a]C[5,6a]C[6a])(NC[6]O)(O)	127.1030	0.000	1	127.1030	0.000	1	127.1030	0.000	1	125.4610	5.392	2	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CNO)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]C)	C(C[6a]C[5,6a]C[6a])(NHH)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CNO){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]C){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C(C[6a]C[5,6a]C[6a])(NHH)(O)	123.8190	0.000	1	123.8190	0.000	1	123.8190	0.000	1	125.4610	5.392	2	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CC[6a]C)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]C)	C(C[6a]C[5,6a]C[6a])(CC[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CC[6a]C){1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]C){1|S<2>,2|H<1>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(CC[5a]C[6a])(C[6a]C[6a]2)	122.4390	0.000	1	122.4390	0.000	1	122.4390	0.000	1	122.4390	0.000	1	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	4:3:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(COO)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C(C[6a]C[5,6a]C[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(COO){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|N<3>,3|C<3>,6|H<1>}	C(C[6a]C[5,6a]C[6a])(OC)(O)	119.5780	0.000	1	119.5780	0.000	1	122.5395	5.667	4	123.1890	3.603	7	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	4:3:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(COO)	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]C)	C(C[6a]C[5,6a]C[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]C){1|C<4>,1|N<3>,1|S<4>,2|C<3>,4|H<1>}	C(C[6a]C[5,6a]C[6a])(OC)(O)	122.0030	0.000	1	123.6235	5.252	2	122.5395	5.667	4	123.1890	3.603	7	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	4:3:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(COO)	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]C)	C(C[6a]C[5,6a]C[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]C){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	C(C[6a]C[5,6a]C[6a])(OC)(O)	125.2440	0.000	1	123.6235	5.252	2	122.5395	5.667	4	123.1890	3.603	7	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	4:3:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(COO)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C)	C(C[6a]C[5,6a]C[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(COO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C){1|O<2>,2|H<1>,4|C<3>}	C(C[6a]C[5,6a]C[6a])(OC)(O)	123.3330	0.000	1	123.3330	0.000	1	122.5395	5.667	4	123.1890	3.603	7	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	4:3:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a,6a]O)(COO)	C[5,6a](C[5,6]C[5,5,6]O[6]H)(C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]C)	C(C[6a]C[5,6a]C[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a,6a]O)(COO){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6]C[5,5,6]O[6]H)(C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]C){1|O<2>,2|C<4>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(OC)(O)	124.6920	0.000	1	124.6920	0.000	1	124.0550	0.341	3	123.1890	3.603	7	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	4:3:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(COO)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C)	C(C[6a]C[5,6a]C[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(COO){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C(C[6a]C[5,6a]C[6a])(OC)(O)	123.5460	0.000	1	123.7365	0.073	2	124.0550	0.341	3	123.1890	3.603	7	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	4:3:3:	3:2:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(COO)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C)	C(C[6a]C[5,6a]C[6a])(OC)(O)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(COO){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]C){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C(C[6a]C[5,6a]C[6a])(OC)(O)	123.9270	0.000	1	123.7365	0.073	2	124.0550	0.341	3	123.1890	3.603	7	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(CCH)	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C(C[6a]C[5,6a]C[6a])(CCH)(H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|O<2>,1|S<4>,5|H<1>}	C(C[6a]C[5,6a]C[6a])(CCH)(H)	121.0310	0.000	1	121.2185	0.070	2	121.2185	0.070	2	120.9053	0.329	3	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(CCH)	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C(C[6a]C[5,6a]C[6a])(CCH)(H)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(CCH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|O<2>,1|S<4>,5|H<1>}	C(C[6a]C[5,6a]C[6a])(CCH)(H)	121.4060	0.000	1	121.2185	0.070	2	121.2185	0.070	2	120.9053	0.329	3	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	4:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CCH)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]C)	C(C[6a]C[5,6a]C[6a])(CCH)(H)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(CCH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]C){2|C<4>,3|C<3>,4|H<1>}	C(C[6a]C[5,6a]C[6a])(CCH)(H)	120.2790	0.000	1	120.2790	0.000	1	120.2790	0.000	1	120.9053	0.329	3	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5,6a]	C	3:3:3:	4:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:N[6]-3:C-3:	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(CN[6]C)	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]C)	C(C[6a]C[5,6a]C[6a])(N[6]C[6]2)(CHH)	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(CN[6]C){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]C){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	C(C[6a]C[5,6a]C[6a])(N[6]C[6]2)(CHH)	117.8180	0.000	1	117.8180	0.000	1	117.8180	0.000	1	117.8180	0.000	1	122.3133	8.210	189	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:2:3:	3:3:2:	3:3:1:	C[5a,6a]-3:N[6a]-2:C-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-3:H-1:	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a,6a])(CCH)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]C)(N[5a]N[5a])	C(C[6a]C[5a,6a]N[6a])(CC[6a]H)(H)	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a,6a])(CCH){1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]C)(N[5a]N[5a]){1|C<4>,2|C<3>}	C(C[6a]C[5a,6a]N[6a])(CC[6a]H)(H)	118.2430	0.000	1	118.2430	0.000	1	118.2430	0.000	1	118.2430	0.000	1	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:2:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[6a]-2:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(CC[5a]O)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]C)(N[5a]C[5a]H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[5a,6a]N[6a])(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(CC[5a]O){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]C)(N[5a]C[5a]H){2|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[5a,6a]N[6a])(O)	119.4300	0.000	1	119.4300	0.000	1	119.4300	0.000	1	120.5491	1.249	8	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:2:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[6a]-2:C-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C)	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC[6a]O){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C){1|H<1>,3|C<3>}	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(O)	120.9080	1.010	4	120.9080	1.019	4	120.9080	1.019	4	120.5491	1.249	8	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:2:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[6a]-2:C-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CNO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C)	C(C[6a]C[5a,6a]N[6a])(NCH)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CNO){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C){1|H<1>,3|C<3>}	C(C[6a]C[5a,6a]N[6a])(NCH)(O)	121.2095	0.602	2	121.2095	0.362	2	121.2095	0.362	2	120.5491	1.249	8	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:2:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[6a]-2:C-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(CC[6a]O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(C[6a]N[6a]C)	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(CC[6a]O){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(C[6a]N[6a]C){4|C<3>}	C(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(O)	118.9120	0.000	1	118.9120	0.000	1	118.9120	0.000	1	120.5491	1.249	8	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:2:3:	3:3:3:	3:4:1:	C[5a,6a]-3:N[6a]-2:C-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C-4:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CCO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C)	C(C[6a]C[5a,6a]N[6a])(CH3)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CCO){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]C){1|H<1>,3|C<3>}	C(C[6a]C[5a,6a]N[6a])(CH3)(O)	121.1490	0.000	1	121.1490	0.000	1	121.1490	0.000	1	121.1490	0.000	1	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:2:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CHN)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(NN)(H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CHN){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(NN)(H)	119.9860	0.000	1	119.9860	0.000	1	119.9860	0.000	1	124.3438	8.482	4	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:2:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(COO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(COO){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(OC)(O)	125.9340	0.107	2	125.9340	0.012	2	125.9340	0.012	2	124.3438	8.482	4	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:2:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:P-2:H-1:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CHP)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(PC[6a])(H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CHP){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(PC[6a])(H)	125.5210	0.000	1	125.5210	0.000	1	125.5210	0.000	1	124.3438	8.482	4	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:2:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:C[5]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]2)(CC[5]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(C[5]C[5]2)(H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]2)(CC[5]H){6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]C){5|C<3>}	C(C[6a]C[5a,6a]C[6a])(C[5]C[5]2)(H)	120.8230	0.000	1	120.8230	0.000	1	120.8230	0.000	1	120.7378	2.948	4	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:2:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:C-3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a]-3:C[6a]-3:O-1:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CC[5a]O)	C[5a,6a](N[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[5a,6a]C[6a])(O)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CC[5a]O){1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[6a]C[5a,6a]C[6a])(O)	118.5770	0.000	1	118.5770	0.000	1	118.5770	0.000	1	120.7378	2.948	4	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:2:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:C-3:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]O)	C[5a,6a](N[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]O){1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O)	121.7755	1.419	2	121.7755	2.014	2	121.7755	2.014	2	120.7378	2.948	4	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:2:3:	3:3:3:	C[5a,6a]-3:C-3:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:C[5a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(CC[5a]C[6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]O[5a])(CC[5a]C[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	130.5410	0.000	1	130.5410	0.000	1	130.5410	0.000	1	125.7398	19.119	5	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:2:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CC[6a]C[5])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CC[6a]C[5]){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[6a]C[6a]2)	130.4000	0.000	1	130.4000	0.000	1	130.4000	0.000	1	125.7398	19.119	5	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:2:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CC[5a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CC[5a]2){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])2	122.5860	0.966	3	122.5860	0.933	3	122.5860	0.933	3	125.7398	19.119	5	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:2:3:	3:4:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:C-4:O-1:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(CCO)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(CCHH)(O)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(CCO){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]C){1|S<2>,2|C<3>,2|H<1>}	C(C[6a]C[5a,6a]C[6a])(CCHH)(O)	120.2150	0.000	1	120.2150	0.000	1	120.2150	0.000	1	120.2150	0.000	1	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:O-2:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(COO)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C(C[6a]C[5a,6a]C[6a])(OH)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(COO){1|H<1>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)(N[5a]C[5a]){4|C<3>}	C(C[6a]C[5a,6a]C[6a])(OH)(O)	118.9310	3.305	2	118.9310	10.923	2	121.1814	9.089	5	120.1253	9.554	7	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:O-2:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a])	C(C[6a]C[5a,6a]C[6a])(OH)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	C(C[6a]C[5a,6a]C[6a])(OH)(O)	122.7450	0.000	1	122.7450	0.000	1	121.1814	9.089	5	120.1253	9.554	7	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:O-2:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(COO)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(COO){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)(N[5a]C[5a]){2|C<3>,2|H<1>}	C(C[6a]C[5a,6a]C[6a])(OC)(O)	122.6500	2.923	2	122.6500	8.545	2	121.1814	9.089	5	120.1253	9.554	7	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:N-2:O-1:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(CNO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(S[5a]N[5a])	C(C[6a]C[5a,6a]C[6a])(NC[6])(O)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(S[5a]N[5a]){1|C<3>,2|H<1>}	C(C[6a]C[5a,6a]C[6a])(NC[6])(O)	116.6340	0.000	1	116.6340	0.000	1	116.6340	0.000	1	120.1253	9.554	7	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:O-2:O-1:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(S[5a]N[5a])	C(C[6a]C[5a,6a]C[6a])(OSn)(O)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(S[5a]N[5a]){1|C<3>,2|H<1>}	C(C[6a]C[5a,6a]C[6a])(OSn)(O)	118.3360	0.000	1	118.3360	0.000	1	118.3360	0.000	1	120.1253	9.554	7	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-2:C-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])2(CCC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C)(N[5a]S[5a])	C(C[6a]C[5a,6a]2)(CN)2	C[6a](C[5a,6a]C[5a,6a]N[5a])2(CCC){1|C<3>,2|N<2>,2|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C)(N[5a]S[5a]){1|N<2>,2|C<3>}	C(C[6a]C[5a,6a]2)(CN)2	123.6868	1.851	8	123.6868	3.427	8	123.6868	3.427	8	123.2469	3.363	11	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-2:C-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(CCC)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a])	C(C[6a]C[5a,6a]C[6a])(CN)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(CCC){1|C<3>,1|N<2>,1|N<3>,1|S<2>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[5a,6a]C[6a])(CN)2	122.6970	0.000	1	122.6970	0.000	1	122.6970	0.000	1	123.2469	3.363	11	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:C-2:C-2:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]H)(CCC)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(S[5a]C[5a])	C(C[6a]C[5a,6a]C[6a])(CN)2	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]H)(CCC){4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(S[5a]C[5a]){1|Si<4>,2|C<3>,2|H<1>}	C(C[6a]C[5a,6a]C[6a])(CN)2	123.0630	0.000	1	123.0630	0.000	1	123.0630	0.000	1	123.2469	3.363	11	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:O-2:O-2:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(S[5a]N[5a])	C(C[6a]C[5a,6a]C[6a])(OSn)2	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(COO){1|C<3>,1|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(S[5a]N[5a]){1|C<3>,2|H<1>}	C(C[6a]C[5a,6a]C[6a])(OSn)2	120.4620	0.000	1	120.4620	0.000	1	120.4620	0.000	1	123.2469	3.363	11	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a,6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:C[5]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(CC[5]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]C)(S[5a]C[5a])	C(C[6a]C[5a,6a]C[6a,6a])(C[5]C[5]2)(H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(CC[5]H){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]C)(S[5a]C[5a]){2|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a,6a])(C[5]C[5]2)(H)	121.0190	0.000	1	121.0190	0.000	1	121.0190	0.000	1	120.9876	12.611	26	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]O[5a])	C(C[6a]C[5a,6a]C[6a])(CC[6a]H)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]O[5a]){1|H<1>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(CC[6a]H)(H)	124.2405	0.182	2	124.2405	0.033	2	121.7768	12.354	15	120.9876	12.611	26	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a])	C(C[6a]C[5a,6a]C[6a])(CCC)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a]){1|H<1>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(CCC)(H)	119.1230	0.000	2	119.1230	0.000	2	121.7768	12.354	15	120.9876	12.611	26	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a])	C(C[6a]C[5a,6a]C[6a])(CC[6a]C)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a]){1|H<1>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(CC[6a]C)(H)	117.6617	0.349	3	117.6617	0.122	3	121.7768	12.354	15	120.9876	12.611	26	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a])	C(C[6a]C[5a,6a]C[6a])(CC[6a]H)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCH){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a]){1|H<1>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(CC[6a]H)(H)	123.3675	3.282	8	123.3675	10.772	8	121.7768	12.354	15	120.9876	12.611	26	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-3:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(CCO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]O[5a])	C(C[6a]C[5a,6a]C[6a])(CC[6a]O)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(CCO){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]O[5a]){1|C<3>,2|N<3>}	C(C[6a]C[5a,6a]C[6a])(CC[6a]O)(O)	119.3440	0.000	1	119.3440	0.000	1	119.3440	0.000	1	120.9876	12.611	26	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N-3:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CNO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C(C[6a]C[5a,6a]C[6a])(NC[6a]H)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CNO){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C(C[6a]C[5a,6a]C[6a])(NC[6a]H)(O)	125.0735	0.367	2	125.0735	0.135	2	125.0735	0.135	2	120.9876	12.611	26	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CC[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CC[6a]O){4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O)	124.5530	0.000	1	124.5530	0.000	1	124.5530	0.000	1	120.9876	12.611	26	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:N-3:O-1:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(CNO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(S[5a]N[5a])	C(C[6a]C[5a,6a]C[6a])(NCH)(O)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(S[5a]N[5a]){1|C<3>,2|H<1>}	C(C[6a]C[5a,6a]C[6a])(NCH)(O)	117.0955	0.053	2	117.0955	0.003	2	117.3272	0.729	6	120.9876	12.611	26	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:N-3:O-1:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(CNO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(S[5a]N[5a])	C(C[6a]C[5a,6a]C[6a])(NC[6]H)(O)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(S[5a]N[5a]){1|C<3>,2|H<1>}	C(C[6a]C[5a,6a]C[6a])(NC[6]H)(O)	117.3410	0.000	1	117.3410	0.000	1	117.3272	0.729	6	120.9876	12.611	26	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:N-3:O-1:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(CNO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(S[5a]N[5a])	C(C[6a]C[5a,6a]C[6a])(NC[6a]C)(O)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(CNO){1|C<3>,1|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(S[5a]N[5a]){1|C<3>,2|H<1>}	C(C[6a]C[5a,6a]C[6a])(NC[6a]C)(O)	117.4770	1.317	3	117.4770	1.734	3	117.3272	0.729	6	120.9876	12.611	26	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:N-3:N-2:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(CNN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(S[5a]N[5a])	C(C[6a]C[5a,6a]C[6a])(NC[6a]H)(NC[5a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(CNN){1|C<3>,1|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(S[5a]N[5a]){1|C<3>,2|H<1>}	C(C[6a]C[5a,6a]C[6a])(NC[6a]H)(NC[5a])	117.9050	0.000	1	117.9050	0.000	1	117.9050	0.000	1	117.9050	0.000	1	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-3:C-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a])	C(C[6a]C[5a,6a]C[6a])(CC[5]C)(CCC)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCC){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a]){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[5a,6a]C[6a])(CC[5]C)(CCC)	121.3800	0.000	1	121.3800	0.000	1	121.3800	0.000	1	121.3800	0.000	1	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:2:	3:4:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-4:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCO)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C(C[6a]C[5a,6a]C[6a])(CC3)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCO){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a]){2|C<3>,2|H<1>}	C(C[6a]C[5a,6a]C[6a])(CC3)(O)	121.9690	1.911	2	121.9690	3.650	2	121.9690	3.650	2	123.3215	5.142	4	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:2:	3:4:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:C-4:O-1:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CCO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(O[5a]C[5a])	C(C[6a]C[5a,6a]C[6a])(CH3)(O)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CCO){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C(C[6a]C[5a,6a]C[6a])(CH3)(O)	126.1670	0.000	1	126.1670	0.000	1	126.1670	0.000	1	123.3215	5.142	4	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:2:	3:4:1:	C[5a,6a]-3:C[6a]-3:C-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-4:O-1:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CCO)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a])	C(C[6a]C[5a,6a]C[6a])(CH3)(O)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CCO){2|C<3>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a]){1|H<1>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(CH3)(O)	123.1810	0.000	1	123.1810	0.000	1	123.1810	0.000	1	123.3215	5.142	4	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:2:	3:4:3:	C[5a,6a]-3:C[6a]-3:C-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-4:N-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]O)(CCN)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a])	C(C[6a]C[5a,6a]C[6a])(CH3)(NHH)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]O)(CCN){1|C<3>,1|H<1>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a]){1|C<3>,1|N<3>,1|O<1>}	C(C[6a]C[5a,6a]C[6a])(CH3)(NHH)	122.4430	0.000	1	122.4430	0.000	1	122.4430	0.000	1	122.4430	0.000	1	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:1:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[6a]-3:H-1:O-1:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]O)(CHO)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(H)(O)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]O)(CHO){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]C){1|O<1>,1|O<2>,4|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)(O)	121.0370	0.000	1	121.0370	0.000	1	121.0370	0.000	1	122.7841	5.303	18	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:1:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:O-1:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CHO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(H)(O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CHO){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C){3|C<3>,3|H<1>}	C(C[6a]C[5a,6a]C[6a])(H)(O)	124.5110	0.000	1	124.5110	0.000	1	124.5110	0.000	1	122.7841	5.303	18	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:1:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:H-1:O-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]O)(CHO)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(H)(O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]O)(CHO){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<4>,1|O<2>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)(O)	121.4870	0.000	1	121.4870	0.000	1	122.5610	2.307	2	122.7841	5.303	18	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:1:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:H-1:O-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CHO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(H)(O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CHO){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,1|S<4>,3|H<1>}	C(C[6a]C[5a,6a]C[6a])(H)(O)	123.6350	0.000	1	123.6350	0.000	1	122.5610	2.307	2	122.7841	5.303	18	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:1:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:H-1:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C)	C(C[6a]C[5a,6a]C[6a])(H)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHO){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C){1|C<3>,4|H<1>}	C(C[6a]C[5a,6a]C[6a])(H)(O)	128.1130	0.000	1	128.1130	0.000	1	122.8220	9.023	5	122.7841	5.303	18	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:1:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:H-1:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C(C[6a]C[5a,6a]C[6a])(H)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHO){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|Br<1>,1|H<1>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)(O)	121.1070	0.658	2	121.4993	0.366	4	122.8220	9.023	5	122.7841	5.303	18	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:1:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:H-1:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C(C[6a]C[5a,6a]C[6a])(H)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHO){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)(O)	121.7350	0.000	1	121.4993	0.366	4	122.8220	9.023	5	122.7841	5.303	18	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:1:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:H-1:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C(C[6a]C[5a,6a]C[6a])(H)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHO){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]H){2|C<3>,2|H<1>}	C(C[6a]C[5a,6a]C[6a])(H)(O)	122.0480	0.000	1	121.4993	0.366	4	122.8220	9.023	5	122.7841	5.303	18	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:1:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]C)	C(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(COO){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]C){1|C<3>,1|O<2>,2|H<1>}	C(C[6a]C[5a,6a]C[6a])(O)2	125.0592	0.727	4	125.0592	0.529	4	125.0592	0.529	4	122.7841	5.303	18	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:1:1:	C[5a,6a]-3:C[6a]-3:C-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:H-1:O-1:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CHO)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(H)(O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CHO){5|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(H)(O)	121.3100	0.000	1	121.3100	0.000	1	121.0194	1.936	5	122.7841	5.303	18	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:1:1:	C[5a,6a]-3:C[6a]-3:C-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:H-1:O-1:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(CHO)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(H)(O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(CHO){2|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	C(C[6a]C[5a,6a]C[6a])(H)(O)	118.8380	0.000	1	118.8380	0.000	1	121.0194	1.936	5	122.7841	5.303	18	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:1:1:	C[5a,6a]-3:C[6a]-3:C-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:H-1:O-1:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(CHO)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(H)(O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(CHO){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|I<1>,2|C<3>,2|H<1>}	C(C[6a]C[5a,6a]C[6a])(H)(O)	122.6930	0.000	1	122.6930	0.000	1	121.0194	1.936	5	122.7841	5.303	18	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:1:1:	C[5a,6a]-3:C[6a]-3:C-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:H-1:O-1:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(CHO)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(H)(O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(CHO){2|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]C){2|C<3>,3|H<1>}	C(C[6a]C[5a,6a]C[6a])(H)(O)	121.1280	0.279	2	121.1280	0.078	2	121.0194	1.936	5	122.7841	5.303	18	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[5a,6a]C[5a,6a]2)2(COO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C)	C(C[6a]C[5a,6a]2)(OC)(O)	C[6a](C[5a,6a]C[5a,6a]2)2(COO){2|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C){2|H<1>,5|C<3>}	C(C[6a]C[5a,6a]2)(OC)(O)	120.6155	2.060	2	120.6155	4.243	2	120.6155	4.243	2	122.0432	6.750	52	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])2(COO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C(C[6a]C[5a,6a]2)(OC)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])2(COO){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|N<3>,4|C<3>}	C(C[6a]C[5a,6a]2)(OC)(O)	122.6045	4.806	2	122.6045	23.100	2	122.6045	23.100	2	122.0432	6.750	52	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[6a,6a]-3:C-3:	N[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(COO)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C)(N[5a]C[5a]H)	C(C[6a]C[5a,6a]C[6a,6a])(OC)(O)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(COO){1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C)(N[5a]C[5a]H){1|O<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a,6a])(OC)(O)	114.7970	0.000	1	114.7970	0.000	1	114.7970	0.000	1	122.0432	6.750	52	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(COO)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(OH)(O)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(COO){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(OH)(O)	122.8090	0.000	1	122.8090	0.000	1	124.2987	1.668	3	122.0432	6.750	52	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(COO)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(COO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C(C[6a]C[5a,6a]C[6a])(OC)(O)	125.0435	0.086	2	125.0435	0.007	2	124.2987	1.668	3	122.0432	6.750	52	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(COO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(COO){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){3|C<3>,4|H<1>}	C(C[6a]C[5a,6a]C[6a])(OC)(O)	122.0060	0.000	1	122.0060	0.000	1	121.8664	1.438	5	122.0432	6.750	52	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(COO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(COO){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C){3|C<3>,3|H<1>}	C(C[6a]C[5a,6a]C[6a])(OC)(O)	122.5010	0.000	1	122.5010	0.000	1	121.8664	1.438	5	122.0432	6.750	52	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(OH)(O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(COO){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C){1|C<4>,2|H<1>,4|C<3>}	C(C[6a]C[5a,6a]C[6a])(OH)(O)	122.5320	0.105	2	122.5320	0.011	2	121.8664	1.438	5	122.0432	6.750	52	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N)(COO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N)(COO){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|N<3>,2|H<1>,4|C<3>}	C(C[6a]C[5a,6a]C[6a])(OC)(O)	119.7610	0.000	1	119.7610	0.000	1	121.8664	1.438	5	122.0432	6.750	52	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CHN)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(NO)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CHN){1|Br<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]C){2|H<1>,4|C<3>}	C(C[6a]C[5a,6a]C[6a])(NO)(H)	121.8800	0.000	1	121.9055	0.001	2	121.9055	0.001	2	122.0432	6.750	52	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CHN)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(NO)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CHN){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]C){1|H<1>,1|O<2>,4|C<3>}	C(C[6a]C[5a,6a]C[6a])(NO)(H)	121.9310	0.000	1	121.9055	0.001	2	121.9055	0.001	2	122.0432	6.750	52	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]O)(COO)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]O)(COO){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|O<2>,2|C<3>,2|H<1>}	C(C[6a]C[5a,6a]C[6a])(OC)(O)	122.7165	0.081	2	122.7165	0.007	2	122.7326	2.294	10	122.0432	6.750	52	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(COO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){2|C<3>,3|H<1>}	C(C[6a]C[5a,6a]C[6a])(OC)(O)	123.7310	0.786	2	123.7310	0.618	2	122.7326	2.294	10	122.0432	6.750	52	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(OH)(O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(COO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,4|H<1>}	C(C[6a]C[5a,6a]C[6a])(OH)(O)	123.0900	0.000	1	123.0900	0.000	1	122.7326	2.294	10	122.0432	6.750	52	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(COO)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(COO){2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]C){2|H<1>,4|C<3>}	C(C[6a]C[5a,6a]C[6a])(OC)(O)	122.8925	0.862	2	122.8925	0.743	2	122.7326	2.294	10	122.0432	6.750	52	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(COO)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(COO){1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(OC)(O)	122.2260	3.734	2	122.2260	13.939	2	122.7326	2.294	10	122.0432	6.750	52	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]O[6a]H)(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]O[6a]H)(COO){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<3>,1|O<2>,3|H<1>}	C(C[6a]C[5a,6a]C[6a])(OC)(O)	121.1040	0.000	1	121.1040	0.000	1	122.7326	2.294	10	122.0432	6.750	52	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:N-2:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHN)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C(C[6a]C[5a,6a]C[6a])(NN)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHN){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<3>,4|H<1>}	C(C[6a]C[5a,6a]C[6a])(NN)(H)	124.2963	0.394	3	124.2963	0.155	3	123.2304	0.970	8	122.0432	6.750	52	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:N-2:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C(C[6a]C[5a,6a]C[6a])(NC[6a])(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHN){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]H){2|C<3>,2|H<1>}	C(C[6a]C[5a,6a]C[6a])(NC[6a])(H)	122.3025	0.831	2	122.3025	0.690	2	123.2304	0.970	8	122.0432	6.750	52	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:N-2:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CHN)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C(C[6a]C[5a,6a]C[6a])(NC[6a])(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|O<2>}	C(C[6a]C[5a,6a]C[6a])(NC[6a])(H)	122.6220	0.000	1	122.6220	0.000	1	123.2304	0.970	8	122.0432	6.750	52	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:N-2:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CHN)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C(C[6a]C[5a,6a]C[6a])(NN)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CHN){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|O<2>}	C(C[6a]C[5a,6a]C[6a])(NN)(H)	122.8635	0.135	2	122.8635	0.018	2	123.2304	0.970	8	122.0432	6.750	52	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(COO){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<3>,1|S<2>,3|H<1>}	C(C[6a]C[5a,6a]C[6a])(OC)(O)	119.9690	0.000	1	119.9690	0.000	1	122.7480	15.248	6	122.0432	6.750	52	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(COO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]N[5a]H)	C(C[6a]C[5a,6a]C[6a])(OH)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(COO){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]N[5a]H){1|C<3>,3|H<1>}	C(C[6a]C[5a,6a]C[6a])(OH)(O)	119.3415	0.199	2	119.3415	0.039	2	122.7480	15.248	6	122.0432	6.750	52	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]C)	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(COO){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]C){1|C<3>,1|O<2>,2|H<1>}	C(C[6a]C[5a,6a]C[6a])(OC)(O)	126.5135	3.559	2	125.9453	7.301	3	122.7480	15.248	6	122.0432	6.750	52	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(COO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]C)	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(COO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]C){1|C<3>,1|O<1>,3|H<1>}	C(C[6a]C[5a,6a]C[6a])(OC)(O)	124.8090	0.000	1	125.9453	7.301	3	122.7480	15.248	6	122.0432	6.750	52	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:N-2:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHN)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(NC[6a])(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHN){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(NC[6a])(H)	121.5855	0.129	2	121.5855	0.017	2	121.5855	0.017	2	122.0432	6.750	52	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(COO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(COO){1|C<2>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){1|C<4>,1|O<2>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(OC)(O)	116.4130	0.000	1	116.4130	0.000	1	119.7617	9.603	3	122.0432	6.750	52	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(COO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(COO){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(OC)(O)	120.3440	0.000	1	120.3440	0.000	1	119.7617	9.603	3	122.0432	6.750	52	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(COO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(COO){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(OC)(O)	122.5280	0.000	1	122.5280	0.000	1	119.7617	9.603	3	122.0432	6.750	52	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:C-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]C[6a])(COO)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]C[6a])(COO){1|H<1>,6|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]C){1|N<2>,4|C<3>}	C(C[6a]C[5a,6a]C[6a])(OC)(O)	114.9220	0.000	1	114.9220	0.000	1	120.8571	9.424	8	122.0432	6.750	52	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:C-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(COO)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(COO){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|H<1>,4|C<3>}	C(C[6a]C[5a,6a]C[6a])(OC)(O)	122.9585	0.302	2	122.9585	0.091	2	120.8571	9.424	8	122.0432	6.750	52	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:C-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(COO)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(COO){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(OC)(O)	123.0670	0.375	2	123.0670	0.140	2	120.8571	9.424	8	122.0432	6.750	52	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:C-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(COO)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]Cl)(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(COO){1|Cl<1>,1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]Cl)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(OC)(O)	122.3870	0.000	1	122.3870	0.000	1	120.8571	9.424	8	122.0432	6.750	52	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:C-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(COO)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(COO){2|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(OC)(O)	118.1650	0.000	1	118.1650	0.000	1	120.8571	9.424	8	122.0432	6.750	52	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5a,6a]-3:C[6a]-3:C-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]C)(COO)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(OC)(O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]C)(COO){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]C){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(OC)(O)	119.3320	0.000	1	119.3320	0.000	1	120.8571	9.424	8	122.0432	6.750	52	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-2:C-2:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CCC)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(CN)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(CCC){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|Si<4>,1|H<1>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(CN)2	124.2230	0.000	1	124.2230	0.000	1	124.2230	0.000	1	124.2230	0.000	1	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[5a,6a]C[5a,6a]2)2(CC[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C)	C(C[6a]C[5a,6a]2)(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]C[5a,6a]2)2(CC[6a]O){2|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C){1|C<2>,2|H<1>,4|C<3>}	C(C[6a]C[5a,6a]2)(C[6a]C[6a]2)(O)	120.2730	1.208	2	120.2730	1.459	2	120.8057	0.904	4	121.7961	3.138	46	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[5a,6a]C[5a,6a]2)2(CC[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C)	C(C[6a]C[5a,6a]2)(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]C[5a,6a]2)2(CC[6a]O){1|N<2>,2|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C){1|C<4>,1|H<1>,4|C<3>}	C(C[6a]C[5a,6a]2)(C[6a]C[6a]2)(O)	121.3385	0.346	2	121.3385	0.120	2	120.8057	0.904	4	121.7961	3.138	46	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])2(CC[6a]O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C)(C[5a]N[5a]C)	C(C[6a]C[5a,6a]2)(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(CC[6a]O){2|C<4>,2|N<3>,3|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]C)(C[5a]N[5a]C){3|C<3>}	C(C[6a]C[5a,6a]2)(C[6a]C[6a]2)(O)	122.2565	0.269	2	122.2565	0.073	2	122.2565	0.073	2	121.7961	3.138	46	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(CC[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(CC[6a]O){1|H<1>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C){1|H<1>,5|C<3>}	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O)	119.1000	0.769	2	119.1000	0.592	2	119.1000	0.592	2	121.7961	3.138	46	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CNO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(NHH)(O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CNO){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C){1|C<4>,2|H<1>,4|C<3>}	C(C[6a]C[5a,6a]C[6a])(NHH)(O)	122.0040	0.769	2	122.0040	0.592	2	122.0040	0.592	2	121.7961	3.138	46	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(CCH)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(CC[6a]H)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(CCH){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|S<2>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]C){3|C<3>}	C(C[6a]C[5a,6a]C[6a])(CC[6a]H)(H)	121.5165	1.330	2	121.5165	1.769	2	121.2862	3.763	5	121.7961	3.138	46	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(CCH)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,1|S<4>,3|H<1>}	C(C[6a]C[5a,6a]C[6a])(CCH)(H)	124.0810	0.000	1	124.0810	0.000	1	121.2862	3.763	5	121.7961	3.138	46	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(CCH)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCH){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	C(C[6a]C[5a,6a]C[6a])(CCH)(H)	119.8430	0.000	1	119.8430	0.000	1	121.2862	3.763	5	121.7961	3.138	46	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCH)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(CCS)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCH){1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6a]C[5a,6a]C[6a])(CCS)(H)	119.4740	0.000	1	119.4740	0.000	1	121.2862	3.763	5	121.7961	3.138	46	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:O-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[5a]O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[5a]O){1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){2|C<3>,2|H<1>}	C(C[6a]C[5a,6a]C[6a])(C[5a]C[5a]2)(O)	118.5920	0.000	1	118.5920	0.000	1	118.5920	0.000	1	121.7961	3.138	46	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[6a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[6a]O){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,1|C<4>,3|H<1>}	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O)	125.8390	0.000	1	125.8390	0.000	1	121.1568	9.800	4	121.7961	3.138	46	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[6a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[6a]O){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O)	119.6690	0.371	2	119.5960	0.085	3	121.1568	9.800	4	121.7961	3.138	46	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[6a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[6a]O){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O)	119.4500	0.000	1	119.5960	0.085	3	121.1568	9.800	4	121.7961	3.138	46	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(CNO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(NCC)(O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(CNO){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(NCC)(O)	118.8320	0.000	1	118.8320	0.000	1	118.8320	0.000	1	121.7961	3.138	46	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C){2|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O)	123.9590	0.000	1	123.9590	0.000	1	121.9180	3.209	3	121.7961	3.138	46	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]O){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<3>,4|H<1>}	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O)	120.6060	0.000	1	120.6060	0.000	1	121.9180	3.209	3	121.7961	3.138	46	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]O)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]O){1|S<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<3>,1|O<1>,2|H<1>}	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O)	121.1890	0.000	1	121.1890	0.000	1	121.9180	3.209	3	121.7961	3.138	46	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(CC[6a]H)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCH){2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(CC[6a]H)(H)	123.5780	0.000	1	123.5780	0.000	1	123.5780	0.000	1	121.7961	3.138	46	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]O){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O)	124.2950	0.000	1	124.2950	0.000	1	124.2950	0.000	1	121.7961	3.138	46	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHN)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Pt)(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(NC[6a]Pt)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHN){1|Pt<4>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Pt)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(NC[6a]Pt)(H)	122.6630	1.542	4	122.6630	2.377	4	122.9054	1.587	11	121.7961	3.138	46	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHN)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Al)(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(NAlC)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHN){1|Al<5>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Al)(C[6a]C[6a]C){1|C<3>,4|H<1>}	C(C[6a]C[5a,6a]C[6a])(NAlC)(H)	121.3330	0.178	2	121.3330	0.032	2	122.9054	1.587	11	121.7961	3.138	46	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHN)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Pd)(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(NPdN)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHN){1|Pd<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Pd)(C[6a]C[6a]C){1|C<3>,4|H<1>}	C(C[6a]C[5a,6a]C[6a])(NPdN)(H)	123.8230	0.000	1	123.8230	0.000	1	122.9054	1.587	11	121.7961	3.138	46	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CHN)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ir)(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(NC[6a]Ir)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CHN){1|Ir<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ir)(C[6a]C[6a]C){1|C<3>,2|C<4>,2|O<2>}	C(C[6a]C[5a,6a]C[6a])(NC[6a]Ir)(H)	123.8235	0.243	2	123.8235	0.059	2	122.9054	1.587	11	121.7961	3.138	46	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CHN)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Rh)(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(NC[6a]Rh)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CHN){1|Rh<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Rh)(C[6a]C[6a]C){1|C<3>,2|C<4>,2|O<2>}	C(C[6a]C[5a,6a]C[6a])(NC[6a]Rh)(H)	123.5855	0.100	2	123.5855	0.010	2	122.9054	1.587	11	121.7961	3.138	46	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:N-3:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(CNO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]C)(N[5a]C[5a]H)	C(C[6a]C[5a,6a]N[6a])(NCH)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]2)(CNO){1|H<1>,1|O<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]C)(N[5a]C[5a]H){2|H<1>,3|C<3>}	C(C[6a]C[5a,6a]N[6a])(NCH)(O)	123.2730	0.288	2	123.2730	0.083	2	123.2730	0.083	2	121.7961	3.138	46	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[5a,6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-1:	C[6a](C[6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CC[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CC[6a]O){7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|O<1>,5|C<3>}	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O)	121.7233	0.588	7	121.7233	0.345	7	121.7233	0.345	7	121.7961	3.138	46	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C-3:O-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(CCH)(OC)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCO){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(CCH)(OC)	119.0715	1.911	2	119.0715	3.653	2	119.0715	3.653	2	119.0715	3.653	2	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a,6a]2)(CC[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]O[6a])(C[6a]C[6a,6a]C)	C(C[6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(CCH)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a,6a]C[6a,6a]2)(CC[6a]C){1|N<2>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]O[6a])(C[6a]C[6a,6a]C){1|H<1>,4|C<3>}	C(C[6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(CCH)	117.1140	0.000	1	117.1140	0.000	1	117.1140	0.000	1	120.3350	4.982	4	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CC[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CC[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|O<2>,3|C<3>,3|H<1>}	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]O)	120.7770	0.000	1	120.7770	0.000	1	120.7770	0.000	1	120.3350	4.982	4	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-3:C-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(CCO)(COO)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCC){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|C<3>,1|C<4>,3|H<1>}	C(C[6a]C[5a,6a]C[6a])(CCO)(COO)	122.2310	0.000	1	122.2310	0.000	1	122.2310	0.000	1	120.3350	4.982	4	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[6a]C)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(CCH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[6a]C){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]C){1|H<1>,1|O<2>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(CCH)	121.2180	0.000	1	121.2180	0.000	1	121.2180	0.000	1	120.3350	4.982	4	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[6a]-3:C-4:O-1:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]O)(CCO)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(CH3)(O)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]O)(CCO){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]C){1|O<1>,1|O<2>,4|C<3>}	C(C[6a]C[5a,6a]C[6a])(CH3)(O)	125.3090	0.000	1	125.3090	0.000	1	125.3090	0.000	1	122.7588	4.241	10	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:O-1:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CCO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(CF3)(O)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CCO){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C){3|C<3>,3|H<1>}	C(C[6a]C[5a,6a]C[6a])(CF3)(O)	122.9690	0.274	4	122.9690	0.075	4	122.9690	0.075	4	122.7588	4.241	10	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C-4:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCO)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)(N[5a]C[5a]H)	C(C[6a]C[5a,6a]C[6a])(CH3)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCO){1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C)(N[5a]C[5a]H){1|C<3>,1|O<1>,2|H<1>}	C(C[6a]C[5a,6a]C[6a])(CH3)(O)	119.9230	0.105	2	119.9230	0.011	2	119.9230	0.011	2	122.7588	4.241	10	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C-4:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(CH3)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCO){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(CH3)(O)	124.0830	0.000	1	124.0830	0.000	1	124.9325	1.443	2	122.7588	4.241	10	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C-4:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CCO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(CCHH)(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CCO){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){1|C<4>,1|O<2>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(CCHH)(O)	125.7820	0.000	1	125.7820	0.000	1	124.9325	1.443	2	122.7588	4.241	10	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[5a,6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-4:O-1:	C[6a](C[6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCO)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(CH3)(O)	C[6a](C[6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(CCO){7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|O<1>,5|C<3>}	C(C[6a]C[5a,6a]C[6a])(CH3)(O)	120.6920	0.000	1	120.6920	0.000	1	120.6920	0.000	1	122.7588	4.241	10	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:4:2:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:Si-4:C-2:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[4,6a]O)(CSiC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[4,6a]N[5a])(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(SiC3)(CO)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[4,6a]O)(CSiC){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[4,6a]N[5a])(C[6a]C[6a]C){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(SiC3)(CO)	121.0680	0.000	1	121.0680	0.000	1	121.0680	0.000	1	121.0680	0.000	1	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:4:3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-4:C-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCC)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(CH3)(CCH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCC){1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|H<1>,1|O<2>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(CH3)(CCH)	121.9940	0.000	1	121.9940	0.000	1	121.9622	0.001	4	121.9622	0.001	4	121.9225	6.844	213	122.0941	7.267	420
643	727	930	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	C	3:3:3:	3:3:3:	3:4:3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-4:C-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCC)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(CH3)(CCH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCC){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]C){1|H<1>,1|O<2>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(CH3)(CCH)	121.9517	0.029	3	121.9517	0.001	3	121.9622	0.001	4	121.9622	0.001	4	121.9225	6.844	213	122.0941	7.267	420
643	727	933	0:SP2_SP2_SP2	C[6a,6a]	C[5,6a]	O[6a]	3:3:2:	3:3:4:	3:3:	C[5,6a]-3:C[6a,6a]-3:O[6a]-2:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(O[6a]C[6a])	C[5,6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]CC)	O[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(O[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	C[5,6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]CC){1|C<4>,2|H<1>,3|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O){1|C<4>,4|C<3>}	118.2990	0.035	2	118.2990	0.001	2	116.9325	4.292	4	116.9325	4.292	4	116.9325	4.292	4	115.4056	10.010	20
643	727	933	0:SP2_SP2_SP2	C[6a,6a]	C[5,6a]	O[6a]	3:3:2:	3:3:4:	3:3:	C[5,6a]-3:C[6a,6a]-3:O[6a]-2:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(O[6a]C[6a])	C[5,6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]HH)	O[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(O[6a]C[6a]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]HH){1|C<4>,2|H<1>,3|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	117.2100	0.000	1	115.5660	5.405	2	116.9325	4.292	4	116.9325	4.292	4	116.9325	4.292	4	115.4056	10.010	20
643	727	933	0:SP2_SP2_SP2	C[6a,6a]	C[5,6a]	O[6a]	3:3:2:	3:3:4:	3:3:	C[5,6a]-3:C[6a,6a]-3:O[6a]-2:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(O[6a]C[6a])	C[5,6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]HH)	O[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)	C[6a,6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a]2)(O[6a]C[6a]){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[6a]O[5])(C[5]C[5]HH){2|H<1>,4|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	113.9220	0.000	1	115.5660	5.405	2	116.9325	4.292	4	116.9325	4.292	4	116.9325	4.292	4	115.4056	10.010	20
643	727	933	0:SP2_SP2_SP2	C[6a,6a]	C[5a,6a]	O[6a]	3:3:2:	3:3:3:	3:3:	C[5a,6a]-3:C[6a,6a]-3:O[6a]-2:	C[5a,6a]-3:C[6a,6a]-3:C[5a,6]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]O[6a])(O[6a]C[6a,6a])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(C[6a,6a]C[6a,6a]O[6a])(C[5a,6]N[5a,6,6]N[6])	O[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]O[6a])(O[6a]C[6a,6a]){1|N<2>,1|N<3>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(C[6a,6a]C[6a,6a]O[6a])(C[5a,6]N[5a,6,6]N[6]){1|B<4>,1|N<2>,2|O<2>,3|C<3>}	O[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|O<2>,5|C<3>}	118.9412	0.205	4	118.9412	0.042	4	118.9412	0.042	4	118.1502	0.969	8	118.1502	0.969	8	115.4056	10.010	20
643	727	933	0:SP2_SP2_SP2	C[6a,6a]	C[5a,6a]	O[6a]	3:3:2:	3:3:3:	3:3:	C[5a,6a]-3:C[6a,6a]-3:O[6a]-2:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(O[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]O[6a])(N[5a]C[5a,6a]H)	O[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]O)	C[6a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a]2)(O[6a]C[6a]){1|O<1>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]O[6a])(N[5a]C[5a,6a]H){1|H<1>,5|C<3>}	O[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]O){1|C<2>,1|N<3>,3|C<3>}	117.1770	0.000	1	117.1770	0.000	1	117.1770	0.000	1	118.1502	0.969	8	118.1502	0.969	8	115.4056	10.010	20
643	727	933	0:SP2_SP2_SP2	C[6a,6a]	C[5a,6a]	O[6a]	3:3:2:	3:3:3:	3:3:	C[5a,6a]-3:C[6a,6a]-3:O[6a]-2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(O[6a]C[6a])	C[5a,6a](C[6a,6a]C[6a,6a]O[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)	O[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]O)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(O[6a]C[6a]){1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]O[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	O[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]O){1|H<1>,4|C<3>}	118.0220	0.000	1	117.9345	0.015	2	117.4200	0.802	3	118.1502	0.969	8	118.1502	0.969	8	115.4056	10.010	20
643	727	933	0:SP2_SP2_SP2	C[6a,6a]	C[5a,6a]	O[6a]	3:3:2:	3:3:3:	3:3:	C[5a,6a]-3:C[6a,6a]-3:O[6a]-2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(O[6a]C[6a])	C[5a,6a](C[6a,6a]C[6a,6a]O[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)	O[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]O)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(O[6a]C[6a]){1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]O[6a])(C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H){1|H<1>,1|O<2>,3|C<3>}	O[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]O){1|H<1>,4|C<3>}	117.8470	0.000	1	117.9345	0.015	2	117.4200	0.802	3	118.1502	0.969	8	118.1502	0.969	8	115.4056	10.010	20
643	727	933	0:SP2_SP2_SP2	C[6a,6a]	C[5a,6a]	O[6a]	3:3:2:	3:3:3:	3:3:	C[5a,6a]-3:C[6a,6a]-3:O[6a]-2:	C[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(O[6a]C[6a])	C[5a,6a](C[6a,6a]C[6a,6a]O[6a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)	O[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]O)	C[6a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a]2)(O[6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,1|S<2>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]O[6a])(C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C){2|H<1>,3|C<3>}	O[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]O){1|H<1>,4|C<3>}	116.3910	0.000	1	116.3910	0.000	1	117.4200	0.802	3	118.1502	0.969	8	118.1502	0.969	8	115.4056	10.010	20
643	727	933	0:SP2_SP2_SP2	C[6a]	C[5a]	O[6a]	3:2:2:	3:3:3:	3:3:	C[5a]-3:N[6a]-2:O[6a]-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(O[6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]O[6a])(C[5a]N[5a]H)	O[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]O)	C[6a](C[5a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(O[6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]O[6a])(C[5a]N[5a]H){2|H<1>,4|C<3>}	O[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]O){4|C<3>}	112.0920	0.000	1	112.0920	0.000	1	112.0920	0.000	1	112.0920	0.000	1	111.8975	0.357	8	115.4056	10.010	20
643	727	933	0:SP2_SP2_SP2	C[6a]	C[5a]	O[6a]	3:2:3:	3:3:2:	3:3:	C[5a]-3:O[6a]-2:C[6a]-3:	C[6a]-3:C[5a]-3:O[5a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a](C[5a]C[5a]O[5a])(O[6a]C[6a,6a])(C[6a]C[6a]O)	C[5a](C[6a]C[6a]O[6a])(C[5a]C[5a]H)(O[5a]C[5a])	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a](C[5a]C[5a]O[5a])(O[6a]C[6a,6a])(C[6a]C[6a]O){1|H<1>,1|O<1>,4|C<3>}	C[5a](C[6a]C[6a]O[6a])(C[5a]C[5a]H)(O[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|H<1>,2|O<2>,4|C<3>}	111.9200	0.464	3	111.9200	0.216	3	111.9200	0.216	3	111.7272	0.292	4	111.8975	0.357	8	115.4056	10.010	20
643	727	933	0:SP2_SP2_SP2	C[6a]	C[5a]	O[6a]	3:2:3:	3:3:2:	3:3:	C[5a]-3:O[6a]-2:C[6a]-3:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a](C[5a]C[5a]S[5a])(O[6a]C[6a,6a])(C[6a]C[6a]O)	C[5a](C[6a]C[6a]O[6a])(C[5a]C[5a]H)(S[5a]C[5a])	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a])	C[6a](C[5a]C[5a]S[5a])(O[6a]C[6a,6a])(C[6a]C[6a]O){1|H<1>,1|O<1>,4|C<3>}	C[5a](C[6a]C[6a]O[6a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,1|O<2>,3|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a]C[6a]){1|H<1>,1|O<2>,1|S<2>,4|C<3>}	111.1490	0.000	1	111.1490	0.000	1	111.1490	0.000	1	111.7272	0.292	4	111.8975	0.357	8	115.4056	10.010	20
643	727	933	0:SP2_SP2_SP2	C[6a]	C[5a]	O[6a]	3:3:2:	3:2:2:	3:3:	C[5a]-3:C[6a]-3:O[6a]-2:	C[6a]-3:N[5a]-2:O[5a]-2:	C[6a]-3:C[6a]-3:	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(O[6a]C[6a])	C[5a](C[6a]C[6a]O[6a])(N[5a]N[5a])(O[5a]C[5a])	O[6a](C[6a]C[5a]C[6a])2	C[6a](C[5a]N[5a]O[5a])(C[6a]C[6a]H)(O[6a]C[6a]){1|N<2>,1|O<1>,3|C<3>}	C[5a](C[6a]C[6a]O[6a])(N[5a]N[5a])(O[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	O[6a](C[6a]C[5a]C[6a])2{1|C<3>,2|H<1>,2|N<2>,2|O<2>}	111.6220	0.488	2	111.6220	0.238	2	111.6220	0.238	2	111.6220	0.238	2	111.8975	0.357	8	115.4056	10.010	20
643	727	933	0:SP2_SP2_SP2	C[6a]	C[5a]	O[6a]	3:3:2:	3:3:2:	3:3:	C[5a]-3:C[6a]-3:O[6a]-2:	C[6a]-3:C[5a]-3:S[5a]-2:	C[6a]-3:C[6a]-3:	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a,6a]H)(O[6a]C[6a])	C[5a](C[6a]C[6a]O[6a])(C[5a]C[5a]C)(S[5a]C[5a])	O[6a](C[6a]C[5a]C[6a])(C[6a]C[6a,6a]O)	C[6a](C[5a]C[5a]S[5a])(C[6a]C[6a,6a]H)(O[6a]C[6a]){1|C<4>,1|O<1>,4|C<3>}	C[5a](C[6a]C[6a]O[6a])(C[5a]C[5a]C)(S[5a]C[5a]){2|C<3>,3|H<1>}	O[6a](C[6a]C[5a]C[6a])(C[6a]C[6a,6a]O){1|H<1>,1|S<2>,3|C<3>}	112.9350	0.000	1	112.9350	0.000	1	112.9350	0.000	1	112.9350	0.000	1	111.8975	0.357	8	115.4056	10.010	20
643	727	933	6:SP2_SP2_SP2	C[6a,6a]	C[5,6a,6a]	O[6a]	3:3:2:	3:3:3:	3:3:	C[5,6a,6a]-3:C[6a]-3:O[6a]-2:	C[5,6a]-3:C[5,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]F)(O[6a]C[6a])	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]O[6a])	O[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]O)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]F)(O[6a]C[6a]){1|H<1>,1|O<1>,4|C<3>}	C[5,6a,6a](C[5,6a]C[5,6a]C[6a])2(C[6a,6a]C[6a]O[6a]){1|F<1>,2|H<1>,4|C<3>}	O[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]O){1|F<1>,1|H<1>,3|C<3>}	120.0110	0.000	1	120.0110	0.000	1	120.0110	0.000	1	119.6390	0.277	2	119.6390	0.277	2	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a,6a]	C[5,6a,6a]	O[6a]	3:3:2:	3:3:3:	3:3:	C[5,6a,6a]-3:C[6a]-3:O[6a]-2:	C[6a,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]O)(O[6a]C[6a])	C[5,6a,6a](C[6a,6a]C[6a]O[6a])(C[5,6a]C[6a]C[5])2	O[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]O)	C[6a,6a](C[5,6a,6a]C[5,6a]2)(C[6a]C[6a]O)(O[6a]C[6a]){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[5,6a,6a](C[6a,6a]C[6a]O[6a])(C[5,6a]C[6a]C[5])2{1|C<4>,1|H<1>,1|O<1>,2|O<2>,3|C<3>}	O[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]O){1|C<4>,1|O<2>,3|C<3>}	119.2670	0.000	1	119.2670	0.000	1	119.2670	0.000	1	119.6390	0.277	2	119.6390	0.277	2	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5,6a]	O[6a]	3:2:1:	3:3:3:	3:3:	C[5,6a]-3:O[6a]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a,6a])(O)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]O[6a]O)(C[5]N[5]C)	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a,6a])(O){1|C<4>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]O[6a]O)(C[5]N[5]C){1|Pd<4>,3|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]O){1|H<1>,4|C<3>}	113.9010	0.000	1	113.9010	0.000	1	113.9010	0.000	1	114.7443	0.534	3	115.9251	2.842	41	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5,6a]	O[6a]	3:2:1:	3:3:3:	3:3:	C[5,6a]-3:O[6a]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]O[6a]O)(C[5]C[5]H)	O[6a](C[6a]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a])(O){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]O[6a]O)(C[5]C[5]H){4|C<3>}	O[6a](C[6a]C[5,6a]O)(C[6a]C[6a]2){5|C<3>}	115.1660	0.017	2	115.1660	0.000	2	115.1660	0.000	2	114.7443	0.534	3	115.9251	2.842	41	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5,6a]	O[6a]	3:2:1:	3:3:4:	3:3:	C[5,6a]-3:O[6a]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a,6a])(O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]O[6a]O)(C[5]C[5]HH)	O[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[5,6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a,6a])(O){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]O[6a]O)(C[5]C[5]HH){2|C<3>,4|H<1>}	O[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a]C[5,6a]O){2|C<4>,3|C<3>}	115.8190	0.000	1	115.8190	0.000	1	115.3883	0.161	3	115.3938	0.485	9	115.9251	2.842	41	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5,6a]	O[6a]	3:2:1:	3:3:4:	3:3:	C[5,6a]-3:O[6a]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a,6a])(O)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]O[6a]O)(C[5]C[5]CC)	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a,6a])(O){1|C<4>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]O[6a]O)(C[5]C[5]CC){3|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]O){1|C<4>,1|H<1>,3|C<3>}	115.3200	0.000	1	115.3200	0.000	1	115.3883	0.161	3	115.3938	0.485	9	115.9251	2.842	41	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5,6a]	O[6a]	3:2:1:	3:3:4:	3:3:	C[5,6a]-3:O[6a]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a,6a])(O)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]O[6a]O)(C[5]C[5]HH)	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a,6a])(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]O[6a]O)(C[5]C[5]HH){1|C<4>,1|H<1>,2|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]O){1|C<4>,1|H<1>,3|C<3>}	115.0260	0.000	1	115.0260	0.000	1	115.3883	0.161	3	115.3938	0.485	9	115.9251	2.842	41	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5,6a]	O[6a]	3:2:1:	3:3:4:	3:3:	C[5,6a]-3:O[6a]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a])(O)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]O[6a]O)(C[5]C[5]HH)	O[6a](C[6a]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a])(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]O[6a]O)(C[5]C[5]HH){1|Br<1>,1|C<3>,2|H<1>}	O[6a](C[6a]C[5,6a]O)(C[6a]C[6a]2){1|Br<1>,1|C<4>,3|C<3>}	115.3965	0.844	6	115.3965	0.712	6	115.3965	0.712	6	115.3938	0.485	9	115.9251	2.842	41	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5,6a]	O[6a]	3:2:1:	3:4:3:	3:3:	C[5,6a]-3:O[6a]-2:O-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(O[6a]C[6a,6a])(O)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5,5]C[5]2N[5])(C[6a]O[6a]O)	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]O)	C[6a](C[5,6a]C[5,6a]C[5,5])(O[6a]C[6a,6a])(O){1|N<3>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5,5]C[5]2N[5])(C[6a]O[6a]O){1|O<1>,6|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]O){1|C<4>,1|H<1>,3|C<3>}	115.7660	0.000	1	115.7660	0.000	1	115.7660	0.000	1	115.2174	0.434	15	115.9251	2.842	41	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5,6a]	O[6a]	3:2:1:	3:4:3:	3:3:	C[5,6a]-3:O[6a]-2:O-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a,6a])(O)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]CC)(C[6a]O[6a]O)	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a,6a])(O){6|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]CC)(C[6a]O[6a]O){4|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]O){1|C<4>,1|H<1>,3|C<3>}	115.2090	0.000	1	115.2090	0.000	1	115.3009	0.398	12	115.2174	0.434	15	115.9251	2.842	41	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5,6a]	O[6a]	3:2:1:	3:4:3:	3:3:	C[5,6a]-3:O[6a]-2:O-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a,6a])(O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5]C[6a]C[5]H)(C[6a]O[6a]O)	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a,6a])(O){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5]C[6a]C[5]H)(C[6a]O[6a]O){3|H<1>,5|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]O){1|C<4>,1|H<1>,3|C<3>}	116.0470	0.165	2	116.0470	0.027	2	115.3009	0.398	12	115.2174	0.434	15	115.9251	2.842	41	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5,6a]	O[6a]	3:2:1:	3:4:3:	3:3:	C[5,6a]-3:O[6a]-2:O-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a,6a])(O)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[5]C[6a]C[5]O)(C[6a]O[6a]O)	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a,6a])(O){1|N<2>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[5]C[6a]C[5]O)(C[6a]O[6a]O){5|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]O){1|C<4>,1|H<1>,3|C<3>}	115.5570	0.000	1	115.5570	0.000	1	115.3009	0.398	12	115.2174	0.434	15	115.9251	2.842	41	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5,6a]	O[6a]	3:2:1:	3:4:3:	3:3:	C[5,6a]-3:O[6a]-2:O-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a,6a])(O)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[5,5]C[6a]H)(C[6a]O[6a]O)	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a,6a])(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[5,5]C[6a]H)(C[6a]O[6a]O){6|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]O){1|C<4>,1|H<1>,3|C<3>}	114.1815	0.583	2	114.1815	0.340	2	115.3009	0.398	12	115.2174	0.434	15	115.9251	2.842	41	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5,6a]	O[6a]	3:2:1:	3:4:3:	3:3:	C[5,6a]-3:O[6a]-2:O-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a,6a])(O)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]O[6a]O)	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a,6a])(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]O[6a]O){1|C<4>,5|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]O){1|C<4>,1|H<1>,3|C<3>}	115.1800	0.000	1	115.3980	0.052	6	115.3009	0.398	12	115.2174	0.434	15	115.9251	2.842	41	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5,6a]	O[6a]	3:2:1:	3:4:3:	3:3:	C[5,6a]-3:O[6a]-2:O-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a,6a])(O)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]O[6a]O)	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a,6a])(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]O[6a]O){1|H<1>,1|N<3>,4|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]O){1|C<4>,1|H<1>,3|C<3>}	115.0550	0.000	1	115.3980	0.052	6	115.3009	0.398	12	115.2174	0.434	15	115.9251	2.842	41	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5,6a]	O[6a]	3:2:1:	3:4:3:	3:3:	C[5,6a]-3:O[6a]-2:O-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a,6a])(O)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]O[6a]O)	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a,6a])(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]O[6a]O){1|H<1>,5|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]O){1|C<4>,1|H<1>,3|C<3>}	115.5383	0.078	4	115.3980	0.052	6	115.3009	0.398	12	115.2174	0.434	15	115.9251	2.842	41	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5,6a]	O[6a]	3:2:1:	3:4:3:	3:3:	C[5,6a]-3:O[6a]-2:O-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a])(O)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]O[6a]O)	O[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a])(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]O[6a]O){2|C<3>,2|C<4>}	O[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C){1|C<3>,2|C<4>}	114.2120	0.000	1	114.2120	0.000	1	114.4420	0.106	2	115.2174	0.434	15	115.9251	2.842	41	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5,6a]	O[6a]	3:2:1:	3:4:3:	3:3:	C[5,6a]-3:O[6a]-2:O-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a])(O)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HO)(C[6a]O[6a]O)	O[6a](C[6a]C[5,6a]O)(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a])(O){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HO)(C[6a]O[6a]O){1|C<4>,1|H<1>,2|C<3>}	O[6a](C[6a]C[5,6a]O)(C[6a]C[6a]2){1|C<4>,1|H<1>,3|C<3>}	114.6720	0.000	1	114.6720	0.000	1	114.4420	0.106	2	115.2174	0.434	15	115.9251	2.842	41	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5,6a]	O[6a]	3:2:1:	4:3:3:	3:3:	C[5,6a]-3:O[6a]-2:O-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(O[6a]C[6a])(O)	C[5,6a](C[5,5]C[5,5,6]O[5]H)(C[5,6a]C[6a]O[5])(C[6a]O[6a]O)	O[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,5])(O[6a]C[6a])(O){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6a](C[5,5]C[5,5,6]O[5]H)(C[5,6a]C[6a]O[5])(C[6a]O[6a]O){2|C<3>,3|C<4>}	O[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C){1|C<3>,2|C<4>}	114.1130	0.000	1	114.1130	0.000	1	114.1130	0.000	1	115.2934	0.568	7	115.9251	2.842	41	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5,6a]	O[6a]	3:2:1:	4:3:3:	3:3:	C[5,6a]-3:O[6a]-2:O-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(O[6a]C[6a,6a])(O)	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[6a,6a]O[5])(C[6a]O[6a]O)	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]O)	C[6a](C[5,6a]C[5,6a]C[5,6])(O[6a]C[6a,6a])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[6a,6a]O[5])(C[6a]O[6a]O){2|C<4>,2|H<1>,3|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]O){1|C<4>,1|H<1>,3|C<3>}	115.9850	0.334	3	115.9850	0.111	3	115.9850	0.111	3	115.2934	0.568	7	115.9251	2.842	41	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5,6a]	O[6a]	3:2:1:	4:3:3:	3:3:	C[5,6a]-3:O[6a]-2:O-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(O[6a]C[6a])(O)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]O[6a]O)	O[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C)	C[6a](C[5,6a]C[5,6a]C[5,6])(O[6a]C[6a])(O){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]O[6a]O){1|O<2>,2|C<3>,4|H<1>}	O[6a](C[6a]C[5,6a]O)(C[6a]C[6a]C){1|C<3>,1|C<4>,1|H<1>}	114.9953	0.210	3	114.9953	0.044	3	114.9953	0.044	3	115.2934	0.568	7	115.9251	2.842	41	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5,6a]	O[6a]	3:2:4:	3:3:3:	3:3:	C[5,6a]-3:O[6a]-2:C-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a])(CC3)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]O[6a]C)	O[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a])(CC3){2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]O[6a]C){1|H<1>,3|C<3>}	O[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O){1|H<1>,2|C<3>}	118.3400	0.000	1	118.3400	0.000	1	118.8315	0.116	4	118.8315	0.116	4	115.9251	2.842	41	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5,6a]	O[6a]	3:2:4:	3:3:3:	3:3:	C[5,6a]-3:O[6a]-2:C-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a])(CCHH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]O[6a]C)	O[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(O[6a]C[6a])(CCHH){2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]O[6a]C){1|H<1>,3|C<3>}	O[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O){1|H<1>,2|C<3>}	118.9953	0.115	3	118.9953	0.013	3	118.8315	0.116	4	118.8315	0.116	4	115.9251	2.842	41	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5,6a]	O[6a]	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:O[6a]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(O[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]O[6a])(C[5]C[5,6a]O)	O[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(O[6a]C[6a]){2|H<1>,2|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]O[6a])(C[5]C[5,6a]O){1|H<1>,5|C<3>}	O[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]O){1|H<1>,4|C<3>}	120.1120	1.312	2	120.1120	1.722	2	120.1120	1.722	2	120.1120	1.722	2	115.9251	2.842	41	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5,6a]	O[6a]	3:4:2:	3:3:3:	3:3:	C[5,6a]-3:C[5]-4:O[6a]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5]C[5]2H)(O[6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]O[6a]C[5])(C[5]C[5,6a]O)	O[6a](C[6a]C[5,6a]C[5])(C[6a]C[6a]O)	C[6a](C[5,6a]C[5,6a]C[5])(C[5]C[5]2H)(O[6a]C[6a]){2|C<4>,2|O<1>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]O[6a]C[5])(C[5]C[5,6a]O){2|C<4>,2|H<1>,3|C<3>}	O[6a](C[6a]C[5,6a]C[5])(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>}	119.2880	0.000	1	119.2880	0.000	1	119.2880	0.000	1	119.2880	0.000	1	115.9251	2.842	41	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	O[6a]	3:2:1:	3:3:2:	3:3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]O[6a]O)(N[5a]N[5a])	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(O[6a]C[6a,6a])(O){1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]O[6a]O)(N[5a]N[5a]){1|C<4>,2|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O){1|H<1>,1|N<2>,3|C<3>}	113.5660	0.000	1	113.5660	0.000	1	114.0747	0.763	3	114.4765	1.154	4	115.2903	4.714	68	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	O[6a]	3:2:1:	3:3:2:	3:3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]O[6a]O)(N[5a]C[5a])	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(O[6a]C[6a,6a])(O){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]O[6a]O)(N[5a]C[5a]){3|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O){1|H<1>,1|N<2>,3|C<3>}	113.5750	0.000	1	113.5750	0.000	1	114.0747	0.763	3	114.4765	1.154	4	115.2903	4.714	68	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	O[6a]	3:2:1:	3:3:2:	3:3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[6a]O[6a]O)(N[5a]C[5a])	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(O[6a]C[6a,6a])(O){1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[6a]O[6a]O)(N[5a]C[5a]){3|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O){1|H<1>,1|N<2>,3|C<3>}	115.0830	0.000	1	115.0830	0.000	1	114.0747	0.763	3	114.4765	1.154	4	115.2903	4.714	68	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	O[6a]	3:2:1:	3:3:2:	3:3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]O[6a]O)(S[5a]C[5a])	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)	C[6a](C[5a,6a]C[5a,6a]S[5a])(O[6a]C[6a,6a])(O){4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]O[6a]O)(S[5a]C[5a]){2|C<3>,2|H<1>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O){1|H<1>,1|S<2>,3|C<3>}	115.6820	0.000	1	115.6820	0.000	1	115.6820	0.000	1	114.4765	1.154	4	115.2903	4.714	68	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	O[6a]	3:2:1:	3:3:3:	3:3:	C[5a,6a]-3:O[6a]-2:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(O[6a]C[6a,6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]O[6a]H)	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(O[6a]C[6a,6a])(H){5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]O[6a]H){1|C<4>,1|H<1>,4|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,4|C<3>}	121.9385	1.261	2	121.9385	1.590	2	121.9385	1.590	2	115.0894	3.769	61	115.2903	4.714	68	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	O[6a]	3:2:1:	3:3:3:	3:3:	C[5a,6a]-3:O[6a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]O[6a]H)	O[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]O[6a]H){2|C<3>,2|H<1>}	O[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H){3|C<3>}	121.6890	0.000	1	121.6890	0.000	1	121.6890	0.000	1	115.0894	3.769	61	115.2903	4.714	68	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	O[6a]	3:2:1:	3:3:3:	3:3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(O[6a]C[6a])(O)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]O[6a]O)	O[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(O[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|S<2>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[6a]S[5a])(C[6a]O[6a]O){1|C<3>,2|C<4>,2|H<1>}	O[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N){2|C<3>}	113.7160	0.000	1	113.7160	0.000	1	113.7160	0.000	1	115.0894	3.769	61	115.2903	4.714	68	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	O[6a]	3:2:1:	3:3:3:	3:3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(O[6a]C[6a,6a])(O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a]O[6a]O)	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)	C[6a](C[5a,6a]C[5a,6a]2)(O[6a]C[6a,6a])(O){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a]O[6a]O){1|H<1>,4|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O){1|H<1>,4|C<3>}	114.4943	0.460	3	114.4943	0.212	3	114.4943	0.212	3	115.0894	3.769	61	115.2903	4.714	68	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	O[6a]	3:2:1:	3:3:3:	3:3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(O[6a]C[6a])(O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]O[6a]O)	O[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]2)(O[6a]C[6a])(O){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]O[6a]O){2|H<1>,3|C<3>}	O[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C){1|H<1>,2|C<3>}	114.2954	0.195	5	114.2954	0.038	5	114.2987	0.056	7	115.0894	3.769	61	115.2903	4.714	68	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	O[6a]	3:2:1:	3:3:3:	3:3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(O[6a]C[6a])(O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]O[6a]O)	O[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]2)(O[6a]C[6a])(O){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]O[6a]O){2|H<1>,3|C<3>}	O[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H){1|H<1>,2|C<3>}	114.6080	0.000	1	114.6080	0.000	1	114.2987	0.056	7	115.0894	3.769	61	115.2903	4.714	68	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	O[6a]	3:2:1:	3:3:3:	3:3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(O[6a]C[6a])(O)	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]O[6a]O)	O[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C[6])	C[6a](C[5a,6a]C[5a,6a]2)(O[6a]C[6a])(O){1|N<3>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]O[6a]O){1|I<1>,3|C<3>}	O[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C[6]){1|C<4>,1|I<1>,3|C<3>}	114.0060	0.000	1	114.0060	0.000	1	114.2987	0.056	7	115.0894	3.769	61	115.2903	4.714	68	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	O[6a]	3:2:1:	3:3:3:	3:3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[5a,6a]C[6a,6a]C[5,5a])(C[5a]N[5,5a]C[6a])(C[6a]O[6a]O)	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5,5a])(C[5a]N[5,5a]C[6a])(C[6a]O[6a]O){1|C<4>,5|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O){1|F<1>,4|C<3>}	115.5080	0.000	1	115.5080	0.000	1	115.2612	0.575	23	115.0894	3.769	61	115.2903	4.714	68	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	O[6a]	3:2:1:	3:3:3:	3:3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[6a]O[5a])(C[6a]O[6a]O)	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[6a]O[5a])(C[6a]O[6a]O){5|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O){1|H<1>,4|C<3>}	115.1050	0.000	1	115.1050	0.000	1	115.2612	0.575	23	115.0894	3.769	61	115.2903	4.714	68	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	O[6a]	3:2:1:	3:3:3:	3:3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]N[5a]C)(C[6a]O[6a]O)	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]N[5a]C)(C[6a]O[6a]O){1|C<4>,1|H<1>,2|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O){1|H<1>,4|C<3>}	115.3330	0.000	1	115.3330	0.000	1	115.2612	0.575	23	115.0894	3.769	61	115.2903	4.714	68	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	O[6a]	3:2:1:	3:3:3:	3:3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]O[5a]C)(C[6a]O[6a]O)	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]O[5a]C)(C[6a]O[6a]O){3|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O){1|H<1>,4|C<3>}	115.2670	0.000	1	115.2670	0.000	1	115.2612	0.575	23	115.0894	3.769	61	115.2903	4.714	68	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	O[6a]	3:2:1:	3:3:3:	3:3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]S[5a]N)(C[6a]O[6a]O)	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O){1|N<3>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]S[5a]N)(C[6a]O[6a]O){3|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O){1|H<1>,4|C<3>}	115.8190	0.000	1	115.8190	0.000	1	115.2612	0.575	23	115.0894	3.769	61	115.2903	4.714	68	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	O[6a]	3:2:1:	3:3:3:	3:3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(C[5a]C[5a,6]H)(C[6a]O[6a]O)	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(C[5a]C[5a,6]H)(C[6a]O[6a]O){1|B<4>,3|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O){1|H<1>,4|C<3>}	115.3840	0.000	1	115.3840	0.000	1	115.2612	0.575	23	115.0894	3.769	61	115.2903	4.714	68	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	O[6a]	3:2:1:	3:3:3:	3:3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]O[6a]O)	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]O[6a]O){1|H<1>,3|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O){1|H<1>,4|C<3>}	116.3455	0.740	2	116.3455	0.548	2	115.2612	0.575	23	115.0894	3.769	61	115.2903	4.714	68	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	O[6a]	3:2:1:	3:3:3:	3:3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]O[6a]O)	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]O[6a]O){1|H<1>,5|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O){1|H<1>,4|C<3>}	116.5470	0.154	2	116.5470	0.024	2	115.2612	0.575	23	115.0894	3.769	61	115.2903	4.714	68	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	O[6a]	3:2:1:	3:3:3:	3:3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(C[6a]O[6a]O)	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(C[6a]O[6a]O){1|H<1>,2|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O){1|H<1>,4|C<3>}	116.2690	0.000	1	116.2690	0.000	1	115.2612	0.575	23	115.0894	3.769	61	115.2903	4.714	68	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	O[6a]	3:2:1:	3:3:3:	3:3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]O[6a]O)	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]O[6a]O){1|C<4>,2|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O){1|H<1>,4|C<3>}	114.9540	0.000	1	114.8367	0.013	3	115.2612	0.575	23	115.0894	3.769	61	115.2903	4.714	68	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	O[6a]	3:2:1:	3:3:3:	3:3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]O[6a]O)	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]O[6a]O){3|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O){1|H<1>,4|C<3>}	114.7310	0.000	1	114.8367	0.013	3	115.2612	0.575	23	115.0894	3.769	61	115.2903	4.714	68	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	O[6a]	3:2:1:	3:3:3:	3:3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]O[6a]O)	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]O[6a]O){3|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O){1|I<1>,4|C<3>}	114.8250	0.000	1	114.8367	0.013	3	115.2612	0.575	23	115.0894	3.769	61	115.2903	4.714	68	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	O[6a]	3:2:1:	3:3:3:	3:3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]O[6a]O)	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]O[6a]O){1|C<4>,4|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O){1|H<1>,4|C<3>}	114.3743	0.422	3	114.6630	0.182	8	115.2612	0.575	23	115.0894	3.769	61	115.2903	4.714	68	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	O[6a]	3:2:1:	3:3:3:	3:3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]O[6a]O)	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]O[6a]O){1|H<1>,4|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O){1|H<1>,4|C<3>}	114.8855	0.156	2	114.6630	0.182	8	115.2612	0.575	23	115.0894	3.769	61	115.2903	4.714	68	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	O[6a]	3:2:1:	3:3:3:	3:3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]O[6a]O)	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]O[6a]O){1|N<3>,4|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O){1|H<1>,4|C<3>}	114.2810	0.000	1	114.6630	0.182	8	115.2612	0.575	23	115.0894	3.769	61	115.2903	4.714	68	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	O[6a]	3:2:1:	3:3:3:	3:3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]O[6a]O)	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]O[6a]O){5|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O){1|H<1>,4|C<3>}	115.0645	0.274	2	114.6630	0.182	8	115.2612	0.575	23	115.0894	3.769	61	115.2903	4.714	68	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	O[6a]	3:2:1:	3:3:3:	3:3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]H)(C[6a]O[6a]O)	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(O){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]H)(C[6a]O[6a]O){3|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O){1|H<1>,4|C<3>}	114.7230	0.000	1	114.7230	0.000	1	115.2612	0.575	23	115.0894	3.769	61	115.2903	4.714	68	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	O[6a]	3:2:1:	3:3:3:	3:3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]O[6a]O)	O[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(O){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]O[6a]O){1|I<1>,3|C<3>}	O[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2){1|I<1>,4|C<3>}	114.4190	0.000	1	114.4190	0.000	1	113.3666	1.637	9	115.0894	3.769	61	115.2903	4.714	68	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	O[6a]	3:2:1:	3:3:3:	3:3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]O[6a]O)	O[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(O){1|N<3>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]O[6a]O){1|C<3>,1|C<4>,2|H<1>}	O[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C){1|H<1>,2|C<3>}	114.7730	0.000	1	114.7730	0.000	1	113.3666	1.637	9	115.0894	3.769	61	115.2903	4.714	68	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	O[6a]	3:2:1:	3:3:3:	3:3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[6a]N[5a])(C[6a]O[6a]O)	O[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(O){1|N<2>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[6a]N[5a])(C[6a]O[6a]O){1|C<4>,3|C<3>}	O[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2){1|C<4>,4|C<3>}	112.8880	0.000	1	113.0470	0.051	2	113.3666	1.637	9	115.0894	3.769	61	115.2903	4.714	68	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	O[6a]	3:2:1:	3:3:3:	3:3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[6a]N[5a])(C[6a]O[6a]O)	O[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(O){1|N<2>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[6a]N[5a])(C[6a]O[6a]O){4|C<3>}	O[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2){5|C<3>}	113.2060	0.000	1	113.0470	0.051	2	113.3666	1.637	9	115.0894	3.769	61	115.2903	4.714	68	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	O[6a]	3:2:1:	3:3:3:	3:3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(O)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]O)(C[6a]O[6a]O)	O[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(O){1|O<2>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]O)(C[6a]O[6a]O){1|H<1>,2|C<3>}	O[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2){1|H<1>,4|C<3>}	115.3410	0.000	1	115.3410	0.000	1	113.3666	1.637	9	115.0894	3.769	61	115.2903	4.714	68	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	O[6a]	3:2:1:	3:3:3:	3:3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]O[6a]O)	O[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(O){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]O[6a]O){1|C<3>,2|C<4>}	O[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]O){4|C<3>}	112.1570	0.000	1	112.1570	0.000	1	113.3666	1.637	9	115.0894	3.769	61	115.2903	4.714	68	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	O[6a]	3:2:1:	3:3:3:	3:3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(O)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]O[6a]O)	O[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]O[6a]O){1|C<3>,1|C<4>}	O[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]O){4|C<3>}	111.9125	0.243	2	111.9125	0.059	2	113.3666	1.637	9	115.0894	3.769	61	115.2903	4.714	68	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	O[6a]	3:2:1:	3:3:3:	3:3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(O)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)(C[6a]O[6a]O)	O[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]O)	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(O){1|C<4>,1|N<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]C)(C[6a]O[6a]O){1|C<3>,1|C<4>}	O[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]O){4|C<3>}	113.6900	0.000	1	113.6900	0.000	1	113.3666	1.637	9	115.0894	3.769	61	115.2903	4.714	68	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	O[6a]	3:2:1:	3:3:3:	3:3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]O[6a]O)(N[5a]N[5a]C)	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(O[6a]C[6a,6a])(O){1|C<4>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]O[6a]O)(N[5a]N[5a]C){2|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O){1|H<1>,1|N<3>,3|C<3>}	113.3760	0.000	1	113.3760	0.000	1	113.3760	0.000	1	115.0894	3.769	61	115.2903	4.714	68	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	O[6a]	3:2:1:	3:3:3:	3:3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(O[6a]C[6a,6a])(O)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]O[6a]O)	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(O[6a]C[6a,6a])(O){1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]O[6a]O){1|H<1>,4|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O){1|H<1>,1|N<3>,3|C<3>}	113.2830	0.000	1	113.2830	0.000	1	113.2830	0.000	1	115.0894	3.769	61	115.2903	4.714	68	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	O[6a]	3:2:1:	3:3:3:	3:3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(O[6a]C[6a,6a])(O)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]O[6a]O)	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(O[6a]C[6a,6a])(O){5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]O[6a]O){1|H<1>,5|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O){1|H<1>,1|N<3>,3|C<3>}	114.2700	0.470	2	114.2700	0.220	2	114.2700	0.220	2	115.0894	3.769	61	115.2903	4.714	68	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	O[6a]	3:2:1:	3:3:3:	3:3:	C[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(O[6a]C[6a])(O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]O[6a]O)	O[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(O[6a]C[6a])(O){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]O[6a]O){1|C<4>,3|C<3>}	O[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>}	113.9197	0.226	3	113.9197	0.051	3	113.9197	0.051	3	115.0894	3.769	61	115.2903	4.714	68	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	O[6a]	3:2:1:	3:3:3:	3:3:	C[5a,6a]-3:O[6a]-2:O-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(O[6a]C[6a,6a])(O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]O[6a]O)	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(O[6a]C[6a,6a])(O){5|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]O[6a]O){1|H<1>,5|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O){1|H<1>,1|N<3>,3|C<3>}	114.9900	0.000	1	114.9795	0.000	2	114.9795	0.000	2	115.0894	3.769	61	115.2903	4.714	68	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	O[6a]	3:2:1:	3:3:3:	3:3:	C[5a,6a]-3:O[6a]-2:O-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(O[6a]C[6a,6a])(O)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]O[6a]O)	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(O[6a]C[6a,6a])(O){5|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]O[6a]O){6|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O){1|H<1>,1|N<3>,3|C<3>}	114.9690	0.000	1	114.9795	0.000	2	114.9795	0.000	2	115.0894	3.769	61	115.2903	4.714	68	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	O[6a]	3:2:1:	3:3:3:	3:3:	C[5a,6a]-3:O[6a]-2:O-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]O[6a]O)	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(O[6a]C[6a,6a])(O){5|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]O[6a]O){1|C<4>,3|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O){1|H<1>,1|N<3>,3|C<3>}	116.1580	0.262	2	116.5450	0.299	4	116.5450	0.299	4	115.0894	3.769	61	115.2903	4.714	68	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	O[6a]	3:2:1:	3:3:3:	3:3:	C[5a,6a]-3:O[6a]-2:O-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(O[6a]C[6a,6a])(O)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]O[6a]O)	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)	C[6a](C[5a,6a]N[5a,6a]C[5a])(O[6a]C[6a,6a])(O){5|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]O[6a]O){1|H<1>,3|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O){1|H<1>,1|N<3>,3|C<3>}	116.9320	0.478	2	116.5450	0.299	4	116.5450	0.299	4	115.0894	3.769	61	115.2903	4.714	68	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	O[6a]	3:2:1:	3:3:3:	3:3:	C[5a,6a]-3:O[6a]-2:O-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(O[6a]C[6a])(O)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]O[6a]O)	O[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)	C[6a](C[5a,6a]N[5a,6a]C[5a])(O[6a]C[6a])(O){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]O[6a]O){1|C<3>,3|H<1>}	O[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2){1|H<1>,1|N<3>,3|C<3>}	116.7530	0.000	1	116.7530	0.000	1	116.5985	0.048	2	115.0894	3.769	61	115.2903	4.714	68	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	O[6a]	3:2:1:	3:3:3:	3:3:	C[5a,6a]-3:O[6a]-2:O-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(O[6a]C[6a])(O)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]O[6a]O)	O[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)	C[6a](C[5a,6a]N[5a,6a]C[5a])(O[6a]C[6a])(O){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]O[6a]O){1|C<3>,3|H<1>}	O[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C){1|C<3>,1|H<1>,1|N<3>}	116.4440	0.000	1	116.4440	0.000	1	116.5985	0.048	2	115.0894	3.769	61	115.2903	4.714	68	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	O[6a]	3:2:3:	3:3:3:	3:3:	C[5a,6a]-3:O[6a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(O[6a]C[6a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]O[6a])	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(O[6a]C[6a,6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]O[6a]){1|H<1>,7|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a]){1|H<1>,6|C<3>}	121.0750	0.000	1	121.0750	0.000	1	121.0750	0.000	1	120.8415	0.109	2	115.2903	4.714	68	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	O[6a]	3:2:3:	3:3:3:	3:3:	C[5a,6a]-3:O[6a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]O[6a])(C[5a]C[5a]C)	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a,6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]O[6a])(C[5a]C[5a]C){1|C<4>,5|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a]){1|H<1>,6|C<3>}	120.6080	0.000	1	120.6080	0.000	1	120.6080	0.000	1	120.8415	0.109	2	115.2903	4.714	68	115.6031	4.303	111
643	727	933	6:SP2_SP2_SP2	C[6a]	C[5a,6a]	O[6a]	3:3:2:	3:3:3:	3:3:	C[5a,6a]-3:C[6a]-3:O[6a]-2:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O[6a])(C[5a]C[5a]H)	O[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O[6a]C[6a]){3|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O[6a])(C[5a]C[5a]H){2|H<1>,4|C<3>}	O[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2){7|C<3>}	119.6950	0.000	1	119.6950	0.000	1	119.6950	0.000	1	119.6950	0.000	1	115.2903	4.714	68	115.6031	4.303	111
643	727	940	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	P	3:3:2:	3:3:4:	3:3:	C[5,6a]-3:C[5,6a]-3:P-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:Si-3:	C[6a](C[5,6a]C[5,6a]C[5])2(PSi)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]P)(C[5]C[5]CC)	P(C[6a]C[5,6a]2)(SiC[6a]2)	C[6a](C[5,6a]C[5,6a]C[5])2(PSi){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]P)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	P(C[6a]C[5,6a]2)(SiC[6a]2)	121.0150	0.624	2	121.0150	0.389	2	121.0150	0.389	2	121.0150	0.389	2	121.0150	0.389	2	121.0150	0.389	2
643	727	941	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:2:2:	3:3:3:	3:1:	C[5,6a]-3:N[6a]-2:N-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NH)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H)	N(C[6a]C[5,6a]N[6a])(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NH){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H){1|C<3>,3|H<1>}	N(C[6a]C[5,6a]N[6a])(H)	126.1980	0.000	1	126.1980	0.000	1	126.1980	0.000	1	126.1980	0.000	1	119.4531	35.976	12	119.4592	25.362	27
643	727	941	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:3:2:	3:3:2:	3:1:	C[5,6a]-3:N[6a]-3:N-2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]S[5])(N[6a]C[6a]C)(NH)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(S[5]C[5])	N(C[6a]C[5,6a]N[6a])(H)	C[6a](C[5,6a]C[5,6a]S[5])(N[6a]C[6a]C)(NH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(S[5]C[5]){1|C<4>,1|S<1>,2|C<3>}	N(C[6a]C[5,6a]N[6a])(H)	131.1210	0.000	1	131.1210	0.000	1	131.1210	0.000	1	131.1210	0.000	1	119.4531	35.976	12	119.4592	25.362	27
643	727	941	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:3:2:	3:3:2:	3:2:	C[5,6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:S-2:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]2)(NS)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(S[5]S[5])	N(C[6a]C[5,6a]C[6a])(SN)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]2)(NS){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(S[5]S[5]){1|C<4>,2|C<3>}	N(C[6a]C[5,6a]C[6a])(SN)	110.4275	0.243	2	110.4275	0.059	2	110.4275	0.059	2	113.3057	24.881	3	119.4531	35.976	12	119.4592	25.362	27
643	727	941	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:3:2:	3:3:2:	3:2:	C[5,6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[6a]-3:N-2:	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(NN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(Se[5]N[5])	N(C[6a]C[5,6a]C[6a])(NC[6a])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(NN){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(Se[5]N[5]){1|O<1>,2|C<3>,2|H<1>}	N(C[6a]C[5,6a]C[6a])(NC[6a])	119.0620	0.000	1	119.0620	0.000	1	119.0620	0.000	1	113.3057	24.881	3	119.4531	35.976	12	119.4592	25.362	27
643	727	941	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]C)	N(C[6a]C[5,6a]C[6a])(CC[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NC){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	N(C[6a]C[5,6a]C[6a])(CC[6a]C)	122.8370	0.000	1	123.3225	0.471	2	123.3225	0.471	2	123.3225	0.471	2	119.4531	35.976	12	119.4592	25.362	27
643	727	941	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:3:2:	3:3:3:	3:3:	C[5,6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]C)	N(C[6a]C[5,6a]C[6a])(CC[6a]C)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NC){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]C){1|C<3>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	N(C[6a]C[5,6a]C[6a])(CC[6a]C)	123.8080	0.000	1	123.3225	0.471	2	123.3225	0.471	2	123.3225	0.471	2	119.4531	35.976	12	119.4592	25.362	27
643	727	941	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:3:2:	3:3:3:	3:4:	C[5,6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:S-4:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NS)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]C[5]H)	N(C[6a]C[5,6a]C[6a])(SC[6a]OO)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NS){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]C[5]H){1|Zn<5>,1|C<3>,3|H<1>}	N(C[6a]C[5,6a]C[6a])(SC[6a]OO)	119.5090	0.000	1	119.5090	0.000	1	119.5090	0.000	1	119.5090	0.000	1	119.4531	35.976	12	119.4592	25.362	27
643	727	941	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:3:2:	3:3:4:	3:2:	C[5,6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-2:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]HH)	N(C[6a]C[5,6a]C[6a])(CN)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NC){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]HH){1|C<3>,1|N<2>,5|H<1>}	N(C[6a]C[5,6a]C[6a])(CN)	116.5410	0.000	1	116.5410	0.000	1	116.5410	0.000	1	116.5410	0.000	1	119.4531	35.976	12	119.4592	25.362	27
643	727	941	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:3:2:	3:3:4:	3:3:	C[5,6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]C)(NC)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]N)(C[5]C[5]HH)	N(C[6a]C[5,6a]C[6a])(CC[6a]N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]C)(NC){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]N)(C[5]C[5]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N(C[6a]C[5,6a]C[6a])(CC[6a]N)	119.1700	0.000	1	119.1700	0.000	1	119.1700	0.000	1	119.1700	0.000	1	119.4531	35.976	12	119.4592	25.362	27
643	727	941	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:3:2:	3:4:3:	3:2:	C[5,6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:N-2:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(NN)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[6]2O[5])(C[6a]C[6a]N)	N(C[6a]C[5,6a]C[6a])(NC[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(NN){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[6]2O[5])(C[6a]C[6a]N){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	N(C[6a]C[5,6a]C[6a])(NC[6a])	117.1680	1.242	2	117.1680	1.542	2	117.1680	1.542	2	117.1680	1.542	2	119.4531	35.976	12	119.4592	25.362	27
643	727	941	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:2:	3:3:2:	3:1:	C[5a,6a]-3:N[6a]-2:N-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N(C[6a]C[5a,6a]N[6a])(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NH){1|C<3>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[5a,6a]N[6a])(H)	122.3630	0.000	1	122.3630	0.000	1	122.3630	0.000	1	122.3630	0.000	1	119.4641	18.835	15	119.4592	25.362	27
643	727	941	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:2:	3:3:2:	3:2:	C[5a,6a]-3:N[6a]-2:N-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NN)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N(C[6a]C[5a,6a]N[6a])(NN)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NN){1|C<3>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[5a,6a]N[6a])(NN)	119.0830	0.000	1	119.0830	0.000	1	119.0830	0.000	1	119.0830	0.000	1	119.4641	18.835	15	119.4592	25.362	27
643	727	941	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:2:	3:3:2:	3:4:	C[5a,6a]-3:N[6a]-2:N-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N(C[6a]C[5a,6a]N[6a])(CCCH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[5a,6a]N[6a])(CCCH)	123.7140	0.000	1	123.7140	0.000	1	123.7140	0.000	1	123.7140	0.000	1	119.4641	18.835	15	119.4592	25.362	27
643	727	941	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:2:	3:2:3:	3:2:	C[5a,6a]-3:C[6a]-3:N-2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:N-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NN)	C[5a,6a](C[5a,6a]N[5a,5a]N[6a])(N[5a]N[5a,5a])(C[6a]C[6a]N)	N(C[6a]C[5a,6a]C[6a])(NN)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NN){2|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a,5a]N[6a])(N[5a]N[5a,5a])(C[6a]C[6a]N){1|H<1>,1|N<2>,2|C<3>}	N(C[6a]C[5a,6a]C[6a])(NN)	117.1600	0.000	1	117.1600	0.000	1	117.1600	0.000	1	117.1600	0.000	1	119.4641	18.835	15	119.4592	25.362	27
643	727	941	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:2:	3:3:2:	3:3:	C[5a,6a]-3:C[6a]-3:N-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[5]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(NC[5])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a])	N(C[6a]C[5a,6a]C[6a])(C[5]N[5]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(NC[5]){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a]){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[5a,6a]C[6a])(C[5]N[5]2)	118.7730	1.446	3	118.7730	2.090	3	118.7730	2.090	3	116.7588	5.713	6	119.4641	18.835	15	119.4592	25.362	27
643	727	941	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:2:	3:3:2:	3:3:	C[5a,6a]-3:C[6a]-3:N-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a])	N(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[6a]){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a]){1|Br<1>,1|C<3>,1|H<1>}	N(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])	114.9090	0.000	1	114.9090	0.000	1	114.7447	0.020	3	116.7588	5.713	6	119.4641	18.835	15	119.4592	25.362	27
643	727	941	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:2:	3:3:2:	3:3:	C[5a,6a]-3:C[6a]-3:N-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a])	N(C[6a]C[5a,6a]C[6a])2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[6a]){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a]){1|C<3>,2|H<1>}	N(C[6a]C[5a,6a]C[6a])2	114.6625	0.008	2	114.6625	0.000	2	114.7447	0.020	3	116.7588	5.713	6	119.4641	18.835	15	119.4592	25.362	27
643	727	941	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:2:	3:3:2:	3:4:	C[5a,6a]-3:C[6a]-3:N-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:P-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NP)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a])	N(C[6a]C[5a,6a]C[6a])(PC[6a]3)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NP){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a]){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[5a,6a]C[6a])(PC[6a]3)	117.0620	0.000	1	117.0620	0.000	1	117.0620	0.000	1	117.0620	0.000	1	119.4641	18.835	15	119.4592	25.362	27
643	727	941	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:2:	3:3:3:	3:2:	C[5a,6a]-3:C[6a]-3:N-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:N-2:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(NN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]N)	N(C[6a]C[5a,6a]C[6a])(NC[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(NN){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]N){1|C<3>,1|O<2>,3|H<1>}	N(C[6a]C[5a,6a]C[6a])(NC[6a])	116.7650	0.000	1	116.7650	0.000	1	116.7650	0.000	1	121.6145	47.035	2	119.4641	18.835	15	119.4592	25.362	27
643	727	941	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:2:	3:3:3:	3:2:	C[5a,6a]-3:C[6a]-3:N-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:N-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[5])(NN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]N[5a]H)	N(C[6a]C[5a,6a]C[6a])(NC[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[5])(NN){2|H<1>,2|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]N[5a]H){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[5a,6a]C[6a])(NC[6a])	126.4640	0.000	1	126.4640	0.000	1	126.4640	0.000	1	121.6145	47.035	2	119.4641	18.835	15	119.4592	25.362	27
643	727	941	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:2:	3:3:3:	3:3:	C[5a,6a]-3:C[6a]-3:N-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(NC[6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]N)	N(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(NC[6a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]N){1|C<4>,1|H<1>,3|C<3>}	N(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	119.4720	0.000	1	119.4720	0.000	1	119.4720	0.000	1	124.3985	48.541	2	119.4641	18.835	15	119.4592	25.362	27
643	727	941	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:2:	3:3:3:	3:3:	C[5a,6a]-3:N[5a,6a]-3:N-2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]C[5a,6a]2)(NC[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]N)(C[6a]N[5a,6a]N)	N(C[6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]C[5a,6a]2)(NC[6a]){1|N<3>,6|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]N)(C[6a]N[5a,6a]N){1|N<2>,4|C<3>}	N(C[6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]2)	129.3250	0.000	1	129.3250	0.000	1	129.3250	0.000	1	124.3985	48.541	2	119.4641	18.835	15	119.4592	25.362	27
643	727	944	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	I	3:3:1:	3:4:3:	3:	C[5,6,6a]-3:C[5,6,6a]-3:I-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(I)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]I)	I(C[6a]C[5,6,6a]2)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(I){1|C<3>,2|H<1>,6|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]I){1|C<3>,2|C<4>,6|H<1>}	I(C[6a]C[5,6,6a]2)	120.4770	0.279	4	120.4770	0.078	4	120.4770	0.078	4	120.4770	0.078	4	120.4770	0.078	4	120.9022	3.327	59
643	727	944	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	I	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[5,6a]-3:I-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])2(I)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]I)(S[5]C[5])	I(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]S[5])2(I){1|C<3>,2|C<4>,2|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]I)(S[5]C[5]){1|C<3>,1|I<1>,1|S<2>,2|C<4>}	I(C[6a]C[5,6a]2)	119.8222	0.386	4	119.6182	0.442	10	119.6182	0.442	10	119.6572	0.414	11	121.2242	4.461	26	120.9022	3.327	59
643	727	944	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	I	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[5,6a]-3:I-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])2(I)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]I)(S[5]C[5])	I(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]S[5])2(I){1|C<3>,2|C<4>,2|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]I)(S[5]C[5]){1|C<3>,1|S<2>,3|C<4>}	I(C[6a]C[5,6a]2)	119.4822	0.807	6	119.6182	0.442	10	119.6182	0.442	10	119.6572	0.414	11	121.2242	4.461	26	120.9022	3.327	59
643	727	944	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	I	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:I-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]O)(I)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]I)(Se[5]C[5])	I(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]O)(I){1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]I)(Se[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	I(C[6a]C[5,6a]C[6a])	120.0470	0.000	1	120.0470	0.000	1	120.0470	0.000	1	119.6572	0.414	11	121.2242	4.461	26	120.9022	3.327	59
643	727	944	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	I	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:I-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(I)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]I)	I(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(I){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]I){1|O<2>,2|H<1>,5|C<3>}	I(C[6a]C[5,6a]C[6a])	123.7340	1.335	2	123.7340	1.782	2	124.5000	2.434	5	122.8365	3.292	13	121.2242	4.461	26	120.9022	3.327	59
643	727	944	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	I	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:I-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(I)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]I)	I(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(I){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]I){1|I<1>,2|C<4>,2|H<1>,3|C<3>}	I(C[6a]C[5,6a]C[6a])	125.9780	0.618	2	125.9780	0.382	2	124.5000	2.434	5	122.8365	3.292	13	121.2242	4.461	26	120.9022	3.327	59
643	727	944	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	I	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:I-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(I)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]I)	I(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(I){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]I){1|O<1>,2|H<1>,3|C<3>}	I(C[6a]C[5,6a]C[6a])	123.0760	0.000	1	123.0760	0.000	1	124.5000	2.434	5	122.8365	3.292	13	121.2242	4.461	26	120.9022	3.327	59
643	727	944	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	I	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:I-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(I)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(C[6a]C[6a]I)	I(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(I){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(C[6a]C[6a]I){1|H<1>,3|C<3>}	I(C[6a]C[5,6a]C[6a])	122.6430	0.000	1	122.6430	0.000	1	122.6430	0.000	1	122.8365	3.292	13	121.2242	4.461	26	120.9022	3.327	59
643	727	944	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	I	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:I-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(I)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]I)(C[5]C[5]O)	I(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(I){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]I)(C[5]C[5]O){1|C<3>,1|O<1>,3|H<1>}	I(C[6a]C[5,6a]C[6a])	120.5450	0.000	1	120.5450	0.000	1	120.5450	0.000	1	122.8365	3.292	13	121.2242	4.461	26	120.9022	3.327	59
643	727	944	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	I	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:I-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(I)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]I)(N[5]C[5,5]H)	I(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(I){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]I)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	I(C[6a]C[5,6a]C[6a])	121.3090	0.000	1	121.3090	0.000	1	121.8643	0.995	6	122.8365	3.292	13	121.2242	4.461	26	120.9022	3.327	59
643	727	944	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	I	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:I-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(I)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]I)(N[5]C[5,6]C)	I(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(I){2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]I)(N[5]C[5,6]C){1|C<3>,2|C<4>,4|H<1>}	I(C[6a]C[5,6a]C[6a])	123.2350	0.000	1	123.2350	0.000	1	121.8643	0.995	6	122.8365	3.292	13	121.2242	4.461	26	120.9022	3.327	59
643	727	944	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	I	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:I-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(I)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]I)(N[5]C[5]H)	I(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(I){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]I)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	I(C[6a]C[5,6a]C[6a])	121.5313	1.100	3	121.6605	0.874	4	121.8643	0.995	6	122.8365	3.292	13	121.2242	4.461	26	120.9022	3.327	59
643	727	944	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	I	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:I-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(I)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]I)(N[5]C[5]H)	I(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(I){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]I)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	I(C[6a]C[5,6a]C[6a])	122.0480	0.000	1	121.6605	0.874	4	121.8643	0.995	6	122.8365	3.292	13	121.2242	4.461	26	120.9022	3.327	59
643	727	944	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	I	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:I-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(I)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]I)(C[5]C[5]CH)	I(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(I){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]I)(C[5]C[5]CH){1|C<3>,1|C<4>,5|H<1>}	I(C[6a]C[5,6a]C[6a])	119.3630	0.390	2	119.3630	0.152	2	119.3630	0.152	2	119.3630	0.152	2	121.2242	4.461	26	120.9022	3.327	59
643	727	944	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	I	3:2:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-2:I-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(I)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]I)(N[5a]C[5a]C)	I(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(I){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]I)(N[5a]C[5a]C){1|C<3>,1|H<1>}	I(C[6a]C[5a,6a]N[6a])	124.2080	0.000	1	124.2080	0.000	1	124.2080	0.000	1	124.2080	0.000	1	120.6722	2.723	29	120.9022	3.327	59
643	727	944	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	I	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:I-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]O[6a]C[6])(I)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(C[6a]C[6a]I)	I(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]O[6a]C[6])(I){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(C[6a]C[6a]I){1|N<2>,1|O<1>,1|O<2>,2|C<3>}	I(C[6a]C[5a,6a]C[6a])	118.0610	0.000	1	118.0610	0.000	1	118.0610	0.000	1	118.0610	0.000	1	120.6722	2.723	29	120.9022	3.327	59
643	727	944	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	I	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:I-1:	C[5a,6,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6,6a]O[5a])(C[6a]C[6a]H)(I)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]I)(O[5a]B[5a])	I(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6,6a]O[5a])(C[6a]C[6a]H)(I){1|B<4>,1|C<3>,1|I<1>,1|N<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]I)(O[5a]B[5a]){1|H<1>,5|C<3>}	I(C[6a]C[5a,6a]C[6a])	120.3905	0.400	2	120.3905	0.160	2	120.3905	0.160	2	119.9209	0.803	16	120.6722	2.723	29	120.9022	3.327	59
643	727	944	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	I	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:I-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(I)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]I)(N[5a]S[5a])	I(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(I){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]I)(N[5a]S[5a]){1|C<3>,1|F<1>,1|H<1>}	I(C[6a]C[5a,6a]C[6a])	121.7720	0.000	1	121.7720	0.000	1	119.8538	0.875	14	119.9209	0.803	16	120.6722	2.723	29	120.9022	3.327	59
643	727	944	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	I	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:I-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(I)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]I)(N[5a]N[5a])	I(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(I){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]I)(N[5a]N[5a]){2|C<3>,2|H<1>}	I(C[6a]C[5a,6a]C[6a])	120.0336	0.729	8	120.0336	0.532	8	119.8538	0.875	14	119.9209	0.803	16	120.6722	2.723	29	120.9022	3.327	59
643	727	944	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	I	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:I-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(I)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]I)(N[5a]S[5a])	I(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(I){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]I)(N[5a]S[5a]){1|C<3>,1|H<1>,1|I<1>}	I(C[6a]C[5a,6a]C[6a])	119.6565	0.011	2	119.5933	0.012	3	119.8538	0.875	14	119.9209	0.803	16	120.6722	2.723	29	120.9022	3.327	59
643	727	944	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	I	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:I-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(I)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]I)(N[5a]S[5a])	I(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(I){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]I)(N[5a]S[5a]){1|H<1>,2|C<3>}	I(C[6a]C[5a,6a]C[6a])	119.4670	0.000	1	119.5933	0.012	3	119.8538	0.875	14	119.9209	0.803	16	120.6722	2.723	29	120.9022	3.327	59
643	727	944	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	I	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:I-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(I)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]I)(N[5a]C[5a])	I(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(I){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]I)(N[5a]C[5a]){1|C<3>,1|H<1>,2|N<3>}	I(C[6a]C[5a,6a]C[6a])	118.5660	0.410	2	118.5660	0.168	2	119.8538	0.875	14	119.9209	0.803	16	120.6722	2.723	29	120.9022	3.327	59
643	727	944	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	I	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:I-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(I)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]I)	I(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(I){1|O<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]I){1|F<1>,1|I<1>,1|O<1>,4|C<3>}	I(C[6a]C[5a,6a]2)	123.7470	0.000	1	123.7470	0.000	1	123.7470	0.000	1	121.6811	2.464	11	120.6722	2.723	29	120.9022	3.327	59
643	727	944	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	I	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:I-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(I)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[5a,6a]I)	I(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(I){1|O<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[5a,6a]I){1|I<1>,4|C<3>}	I(C[6a]C[5a,6a]2)	118.3970	0.000	1	118.3970	0.000	1	118.3970	0.000	1	121.6811	2.464	11	120.6722	2.723	29	120.9022	3.327	59
643	727	944	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	I	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:I-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])2(I)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]I)(C[5a]N[5a]O)	I(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(I){2|N<3>,2|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]I)(C[5a]N[5a]O){1|H<1>,1|I<1>,1|O<1>,2|C<3>}	I(C[6a]C[5a,6a]2)	122.0820	0.932	4	122.0820	0.868	4	122.0820	0.868	4	121.6811	2.464	11	120.6722	2.723	29	120.9022	3.327	59
643	727	944	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	I	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:I-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(I)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]I)	I(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(I){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]I){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	I(C[6a]C[5a,6a]C[6a])	120.9310	0.000	1	120.9310	0.000	1	120.9310	0.000	1	121.6811	2.464	11	120.6722	2.723	29	120.9022	3.327	59
643	727	944	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	I	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:I-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(I)	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]I)	I(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(I){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]I){2|H<1>,3|C<3>}	I(C[6a]C[5a,6a]C[6a])	121.7070	0.000	1	121.7070	0.000	1	121.7070	0.000	1	121.6811	2.464	11	120.6722	2.723	29	120.9022	3.327	59
643	727	944	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	I	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:I-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(I)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]I)	I(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(I){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]I){1|C<3>,1|O<2>,2|H<1>}	I(C[6a]C[5a,6a]C[6a])	120.2360	0.000	1	120.2360	0.000	1	120.8920	0.861	2	121.6811	2.464	11	120.6722	2.723	29	120.9022	3.327	59
643	727	944	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	I	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:I-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O[6a])(I)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]I)	I(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O[6a])(I){1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]I){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	I(C[6a]C[5a,6a]C[6a])	121.5480	0.000	1	121.5480	0.000	1	120.8920	0.861	2	121.6811	2.464	11	120.6722	2.723	29	120.9022	3.327	59
643	727	944	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	I	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:I-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(I)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]I)	I(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(I){1|H<1>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]I){2|H<1>,3|C<3>}	I(C[6a]C[5a,6a]C[6a])	123.5980	0.000	1	123.5980	0.000	1	123.5980	0.000	1	121.6811	2.464	11	120.6722	2.723	29	120.9022	3.327	59
643	727	945	0:SP2_SP2_SP3	C[6a]	C[5,6a]	P	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:P-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C[6a])(PC[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]P)(C[5]O[5]HH)	P(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C[6a])(PC[6a]2){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]P)(C[5]O[5]HH){1|C<4>,2|C<3>,2|H<1>}	P(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)2	127.4940	0.031	2	127.4940	0.001	2	127.4940	0.001	2	127.4940	0.001	2	121.2828	8.842	12	121.8126	11.947	21
643	727	945	0:SP2_SP2_SP3	C[6a]	C[5,6a]	P	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[6a]-3:P-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(PC[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]P)	P(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(PC[6a]2){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]P){1|C<3>,2|C<4>,9|H<1>}	P(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)2	120.9900	0.745	2	120.9900	0.555	2	120.9900	0.555	2	120.9900	0.555	2	121.2828	8.842	12	121.8126	11.947	21
643	727	945	0:SP2_SP2_SP3	C[6a]	C[5,6a]	P	3:3:3:	4:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:P-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(PC[6a]2)	C[5,6a](C[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]P)	P(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(PC[6a]2){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]P){1|C<4>,3|C<3>,4|H<1>}	P(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)2	119.6250	0.000	1	119.8031	0.266	8	119.8031	0.266	8	119.8031	0.266	8	121.2828	8.842	12	121.8126	11.947	21
643	727	945	0:SP2_SP2_SP3	C[6a]	C[5,6a]	P	3:3:3:	4:3:3:	3:3:3:	C[5,6a]-3:C[6a]-3:P-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(PC[6a]2)	C[5,6a](C[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]P)	P(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(PC[6a]2){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]P){2|C<4>,3|C<3>,3|H<1>}	P(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)2	119.8286	0.551	7	119.8031	0.266	8	119.8031	0.266	8	119.8031	0.266	8	121.2828	8.842	12	121.8126	11.947	21
643	727	945	0:SP2_SP2_SP3	C[6a]	C[5a,6a]	P	3:3:3:	3:2:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:P-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(PC[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]P)	P(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(PC[6a]2){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]P){2|H<1>,3|C<3>}	P(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)2	119.8278	0.642	5	119.8278	0.413	5	119.8278	0.413	5	119.8278	0.413	5	122.5190	16.727	9	121.8126	11.947	21
643	727	945	0:SP2_SP2_SP3	C[6a]	C[5a,6a]	P	3:3:3:	3:2:3:	3:4:4:	C[5a,6a]-3:C[6a]-3:P-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(PCC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]P)	P(C[6a]C[5a,6a]C[6a])(CCCH)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(PCC){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]P){2|H<1>,3|C<3>}	P(C[6a]C[5a,6a]C[6a])(CCCH)2	129.3775	1.252	2	129.3775	1.568	2	129.3775	1.568	2	129.3775	1.568	2	122.5190	16.727	9	121.8126	11.947	21
643	727	945	0:SP2_SP2_SP3	C[6a]	C[5a,6a]	P	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:P-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(PC[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]C[5a]P)	P(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(PC[6a]2){1|H<1>,1|P<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]C[5a]P){1|C<3>,4|H<1>}	P(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)2	122.3885	0.524	2	122.3885	0.275	2	122.3885	0.275	2	122.3885	0.275	2	122.5190	16.727	9	121.8126	11.947	21
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:2:1:	3:4:3:	3:	C[5,6,6a]-3:N[6a]-2:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(N[6a]N[6a])(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]N[6a]H)	H(C[6a]C[5,6,6a]N[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(N[6a]N[6a])(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]N[6a]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5,6,6a]N[6a])	122.0680	1.308	2	122.0680	1.711	2	122.0680	1.711	2	122.0680	1.711	2	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	3:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	P[3x5,6,6]-3:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]P[3x5,6,6]C[5,6,6a])(C[6a]C[6a]H)(H)	C[5,6,6a](P[3x5,6,6]P[3x5,4x6]P[4x5,6,6])(C[5,6,6a]P[3x5,6,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]P[3x5,6,6]C[5,6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|P<3>}	C[5,6,6a](P[3x5,6,6]P[3x5,4x6]P[4x5,6,6])(C[5,6,6a]P[3x5,6,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|P<3>}	H(C[6a]C[5,6,6a]C[6a])	120.0314	0.119	8	120.0314	0.014	8	120.0314	0.014	8	120.0314	0.014	8	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	3:4:3:	3:	C[5,6,6a]-3:C[5,6,6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H)	H(C[6a]C[5,6,6a]2)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(H){1|C<3>,2|H<1>,6|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H){1|C<3>,1|I<1>,2|C<4>,5|H<1>}	H(C[6a]C[5,6,6a]2)	121.3653	0.059	4	121.2486	0.186	29	121.2486	0.186	29	121.0980	0.265	102	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	3:4:3:	3:	C[5,6,6a]-3:C[5,6,6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H)	H(C[6a]C[5,6,6a]2)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(H){1|C<3>,2|H<1>,6|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H){1|C<3>,1|I<2>,2|C<4>,5|H<1>}	H(C[6a]C[5,6,6a]2)	120.9837	0.053	3	121.2486	0.186	29	121.2486	0.186	29	121.0980	0.265	102	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	3:4:3:	3:	C[5,6,6a]-3:C[5,6,6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H)	H(C[6a]C[5,6,6a]2)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(H){1|C<3>,2|H<1>,6|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H){1|C<3>,1|I<3>,2|C<4>,5|H<1>}	H(C[6a]C[5,6,6a]2)	121.1925	0.063	2	121.2486	0.186	29	121.2486	0.186	29	121.0980	0.265	102	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	3:4:3:	3:	C[5,6,6a]-3:C[5,6,6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H)	H(C[6a]C[5,6,6a]2)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(H){1|C<3>,2|H<1>,6|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H){1|C<3>,2|C<4>,6|H<1>}	H(C[6a]C[5,6,6a]2)	121.4694	0.633	5	121.2486	0.186	29	121.2486	0.186	29	121.0980	0.265	102	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	3:4:3:	3:	C[5,6,6a]-3:C[5,6,6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H)	H(C[6a]C[5,6,6a]2)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(H){1|C<3>,2|H<1>,6|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]H){2|C<3>,2|C<4>,5|H<1>}	H(C[6a]C[5,6,6a]2)	121.2043	0.466	15	121.2486	0.186	29	121.2486	0.186	29	121.0980	0.265	102	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	3:4:3:	3:	C[5,6,6a]-3:C[6,6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6,6a]C[6,6a]O[6])(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6,6a]H)	H(C[6a]C[5,6,6a]C[6,6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6,6a]C[6,6a]O[6])(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6,6a]H){1|C<3>,1|C<4>,1|O<2>,1|P<3>,3|H<1>}	H(C[6a]C[5,6,6a]C[6,6a])	120.9920	0.000	1	120.8890	0.021	2	120.8890	0.021	2	121.0980	0.265	102	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	3:4:3:	3:	C[5,6,6a]-3:C[6,6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6,6a]C[6,6a]O[6])(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6,6a]H)	H(C[6a]C[5,6,6a]C[6,6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6,6a]C[6,6a]O[6])(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6,6a]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6a]C[5,6,6a]C[6,6a])	120.7860	0.000	1	120.8890	0.021	2	120.8890	0.021	2	121.0980	0.265	102	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	3:4:3:	3:	C[5,6,6a]-3:C[6a,6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a,6a]H)	H(C[6a]C[5,6,6a]C[6a,6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a])(H){2|H<1>,3|C<3>,3|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a,6a]H){1|C<4>,2|C<3>,6|H<1>}	H(C[6a]C[5,6,6a]C[6a,6a])	120.2473	0.019	4	120.2473	0.000	4	120.2473	0.000	4	121.0980	0.265	102	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	3:4:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a,6a]H)(H)	C[5,6,6a](C[5,6,6a]C[3x5,6]C[6a,6a])(C[5,5,6]C[3x5]C[5,6]H)(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a,6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6,6a](C[5,6,6a]C[3x5,6]C[6a,6a])(C[5,5,6]C[3x5]C[5,6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<2>,4|C<3>}	H(C[6a]C[5,6,6a]C[6a])	118.8070	0.000	1	118.8070	0.000	1	121.0898	0.271	67	121.0980	0.265	102	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	3:4:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a,6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,5,6]O[5,5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a,6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,5,6]O[5,5]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6,6a]C[6a])	120.8750	0.035	2	120.8750	0.001	2	121.0898	0.271	67	121.0980	0.265	102	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	3:4:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]C)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6,6]C[6a])(C[5,5,6]C[4,5,6]O[5,5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6,6]C[6a])(C[5,5,6]C[4,5,6]O[5,5]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6,6a]C[6a])	120.5590	0.000	1	120.5590	0.000	1	121.0898	0.271	67	121.0980	0.265	102	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	3:4:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]C)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]C)(H){1|N<4>,2|C<4>,3|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	H(C[6a]C[5,6,6a]C[6a])	120.6100	0.000	1	120.6100	0.000	1	121.0898	0.271	67	121.0980	0.265	102	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	3:4:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]C)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]C)(H){1|H<1>,1|N<4>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6,6a]C[6a])	120.1000	0.000	1	120.1000	0.000	1	121.0898	0.271	67	121.0980	0.265	102	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	3:4:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[3x5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]C)(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6,6a](C[5,6,6a]C[3x5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6,6a]C[6a])	120.8640	0.000	1	120.8640	0.000	1	121.0898	0.271	67	121.0980	0.265	102	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	3:4:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[3x5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6,6a](C[5,6,6a]C[3x5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6,6a]C[6a])	121.5020	0.836	2	121.5020	0.699	2	121.0898	0.271	67	121.0980	0.265	102	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	3:4:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6,6]C[6a])(C[5,5,6]C[5,5,6]N[5,6]H)(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6,6]C[6a])(C[5,5,6]C[5,5,6]N[5,6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6,6a]C[6a])	121.3510	0.000	1	121.3510	0.000	1	121.0898	0.271	67	121.0980	0.265	102	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	3:4:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6,6]C[6a])(C[5,5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6,6]C[6a])(C[5,5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	H(C[6a]C[5,6,6a]C[6a])	120.9930	0.000	1	120.9930	0.000	1	121.0898	0.271	67	121.0980	0.265	102	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	3:4:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H){4|C<3>,4|H<1>}	H(C[6a]C[5,6,6a]C[6a])	120.7920	0.000	1	120.7920	0.000	1	121.0898	0.271	67	121.0980	0.265	102	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	3:4:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,6|H<1>}	H(C[6a]C[5,6,6a]C[6a])	122.8690	0.000	1	120.9984	0.592	9	121.0898	0.271	67	121.0980	0.265	102	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	3:4:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	H(C[6a]C[5,6,6a]C[6a])	120.6573	0.170	3	120.9984	0.592	9	121.0898	0.271	67	121.0980	0.265	102	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	3:4:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,7|H<1>}	H(C[6a]C[5,6,6a]C[6a])	120.7680	0.000	1	120.9984	0.592	9	121.0898	0.271	67	121.0980	0.265	102	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	3:4:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,6|H<1>}	H(C[6a]C[5,6,6a]C[6a])	120.8820	0.020	2	120.9984	0.592	9	121.0898	0.271	67	121.0980	0.265	102	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	3:4:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H){2|Br<1>,1|C<3>,1|C<4>,5|H<1>}	H(C[6a]C[5,6,6a]C[6a])	120.2260	0.000	1	120.9984	0.592	9	121.0898	0.271	67	121.0980	0.265	102	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	3:4:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[6a]H){3|Br<1>,1|C<3>,1|C<4>,4|H<1>}	H(C[6a]C[5,6,6a]C[6a])	121.3870	0.000	1	120.9984	0.592	9	121.0898	0.271	67	121.0980	0.265	102	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	3:4:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	H(C[6a]C[5,6,6a]C[6a])	121.1340	0.000	1	121.1311	0.025	14	121.0898	0.271	67	121.0980	0.265	102	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	3:4:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	H(C[6a]C[5,6,6a]C[6a])	121.0770	0.000	1	121.1311	0.025	14	121.0898	0.271	67	121.0980	0.265	102	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	3:4:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H){1|C<4>,1|P<3>,2|C<3>,4|H<1>}	H(C[6a]C[5,6,6a]C[6a])	121.3275	0.036	2	121.1311	0.025	14	121.0898	0.271	67	121.0980	0.265	102	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	3:4:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	H(C[6a]C[5,6,6a]C[6a])	120.8380	0.000	1	121.1311	0.025	14	121.0898	0.271	67	121.0980	0.265	102	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	3:4:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	H(C[6a]C[5,6,6a]C[6a])	121.0820	0.079	2	121.1311	0.025	14	121.0898	0.271	67	121.0980	0.265	102	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	3:4:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H){1|Pd<5>,1|C<3>,1|C<4>,1|P<4>,4|H<1>}	H(C[6a]C[5,6,6a]C[6a])	121.0610	0.078	2	121.1311	0.025	14	121.0898	0.271	67	121.0980	0.265	102	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	3:4:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H){1|Pd<6>,1|C<3>,1|C<4>,1|P<4>,4|H<1>}	H(C[6a]C[5,6,6a]C[6a])	121.2347	0.176	3	121.1311	0.025	14	121.0898	0.271	67	121.0980	0.265	102	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	3:4:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]N[5,5]H)(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5,6,6a]C[6a])	121.0705	0.186	2	121.1311	0.025	14	121.0898	0.271	67	121.0980	0.265	102	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	3:4:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,5|H<1>}	H(C[6a]C[5,6,6a]C[6a])	121.1520	0.000	1	121.3054	0.073	10	121.0898	0.271	67	121.0980	0.265	102	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	3:4:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	H(C[6a]C[5,6,6a]C[6a])	121.1950	0.000	1	121.3054	0.073	10	121.0898	0.271	67	121.0980	0.265	102	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	3:4:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H){2|C<3>,4|H<1>}	H(C[6a]C[5,6,6a]C[6a])	121.4445	0.267	2	121.3054	0.073	10	121.0898	0.271	67	121.0980	0.265	102	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	3:4:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6,6a]C[6a])	120.9720	0.346	2	121.3054	0.073	10	121.0898	0.271	67	121.0980	0.265	102	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	3:4:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6,6a]C[6a])	121.4180	0.121	3	121.3054	0.073	10	121.0898	0.271	67	121.0980	0.265	102	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	3:4:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]C)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6,6a]C[6a])	121.6200	0.000	1	121.3054	0.073	10	121.0898	0.271	67	121.0980	0.265	102	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	3:4:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|P<3>,4|H<1>}	H(C[6a]C[5,6,6a]C[6a])	120.8580	0.107	2	121.1079	0.047	17	121.0898	0.271	67	121.0980	0.265	102	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	3:4:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,5|H<1>}	H(C[6a]C[5,6,6a]C[6a])	120.9848	0.183	4	121.1079	0.047	17	121.0898	0.271	67	121.0980	0.265	102	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	3:4:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6,6a]C[6a])	121.0915	0.139	2	121.1079	0.047	17	121.0898	0.271	67	121.0980	0.265	102	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	3:4:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	H(C[6a]C[5,6,6a]C[6a])	121.0830	0.000	1	121.1079	0.047	17	121.0898	0.271	67	121.0980	0.265	102	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	3:4:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	H(C[6a]C[5,6,6a]C[6a])	121.0910	0.003	2	121.1079	0.047	17	121.0898	0.271	67	121.0980	0.265	102	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	3:4:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|C<4>,4|H<1>}	H(C[6a]C[5,6,6a]C[6a])	121.5095	0.128	2	121.1079	0.047	17	121.0898	0.271	67	121.0980	0.265	102	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	3:4:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6,6a]C[6a])	121.2850	0.000	1	121.1079	0.047	17	121.0898	0.271	67	121.0980	0.265	102	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	3:4:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6,6a]C[6a])	121.2660	0.000	1	121.1079	0.047	17	121.0898	0.271	67	121.0980	0.265	102	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	3:4:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H){3|C<3>,3|H<1>}	H(C[6a]C[5,6,6a]C[6a])	121.0810	0.201	2	121.1079	0.047	17	121.0898	0.271	67	121.0980	0.265	102	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	3:4:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]N[5a])(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]N[5a])(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5,6,6a]C[6a])	121.2280	0.157	2	121.2280	0.025	2	121.0898	0.271	67	121.0980	0.265	102	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	3:4:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]O)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,1|S<2>,3|H<1>}	H(C[6a]C[5,6,6a]C[6a])	121.2140	0.000	1	121.1415	0.011	2	121.0898	0.271	67	121.0980	0.265	102	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	3:4:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]O)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6a]C[5,6,6a]C[6a])	121.0690	0.000	1	121.1415	0.011	2	121.0898	0.271	67	121.0980	0.265	102	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	3:4:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]N[6a]Cl)(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]S)(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]N[6a]Cl)(H){1|C<3>,1|O<2>,1|S<2>,2|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,6]O[5,5]S)(C[6a]C[6a]H){2|Cl<1>,1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6a]C[5,6,6a]C[6a])	122.7390	0.000	1	122.7390	0.000	1	121.0898	0.271	67	121.0980	0.265	102	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[5,6,6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[5,6,6a]H)	H(C[6a]C[5,6,6a]2)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(H){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[5,6,6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6,6a]2)	122.4210	0.086	2	122.4210	0.007	2	122.4210	0.007	2	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[5,6a]C[5,6a]C[5,5])(H)	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[5,6a]H)	H(C[6a]C[5,6,6a]C[5,6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[5,6a]C[5,6a]C[5,5])(H){1|H<1>,1|O<2>,2|C<3>,5|C<4>}	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[5,6a]H){2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6,6a]C[5,6a])	121.3150	0.000	1	121.3150	0.000	1	121.3150	0.000	1	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a,6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]H)	H(C[6a]C[5,6,6a]C[6a,6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a])(H){1|C<4>,2|H<1>,5|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]H){1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6,6a]C[6a,6a])	120.2985	0.008	2	120.4000	0.058	7	120.4000	0.058	7	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a,6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]H)	H(C[6a]C[5,6,6a]C[6a,6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a])(H){1|C<4>,2|H<1>,5|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6,6a]C[6a,6a])	120.5850	0.000	1	120.4000	0.058	7	120.4000	0.058	7	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a,6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]H)	H(C[6a]C[5,6,6a]C[6a,6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a,6a]C[6a,6a]C[6a])(H){2|C<4>,2|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]H){4|C<3>,4|H<1>}	H(C[6a]C[5,6,6a]C[6a,6a])	120.4045	0.312	4	120.4000	0.058	7	120.4000	0.058	7	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[3x5,6,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[3x5,6,6]C[5,6,6a])(C[6a]C[6a]H)(H)	C[5,6,6a](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[6])(C[5,6,6a]C[3x5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[3x5,6,6]C[5,6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6,6a](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[6])(C[5,6,6a]C[3x5,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|O<2>,4|C<4>,5|H<1>}	H(C[6a]C[5,6,6a]C[6a])	120.8090	0.000	1	120.8287	0.000	3	120.8287	0.000	3	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[3x5,6,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[3x5,6,6]C[5,6,6a])(C[6a]C[6a]H)(H)	C[5,6,6a](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[6])(C[5,6,6a]C[3x5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[3x5,6,6]C[5,6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6,6a](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[6])(C[5,6,6a]C[3x5,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|O<2>,3|C<4>,5|H<1>}	H(C[6a]C[5,6,6a]C[6a])	120.8385	0.002	2	120.8287	0.000	3	120.8287	0.000	3	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[3x5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[3x5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,6,6a]C[3x5,6,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[3x5,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6,6a](C[3x5,6]C[3,5,5,6]C[4x5]H)(C[5,6,6a]C[3x5,6,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[6a]C[5,6,6a]C[6a])	120.7467	0.168	3	120.7467	0.028	3	120.7957	0.020	6	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[3x5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[3x5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[3x5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6,6a](C[3x5,6]C[5,5,6]O[5,5]C[5])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<3>,4|C<4>,5|H<1>}	H(C[6a]C[5,6,6a]C[6a])	120.8310	0.160	2	120.8310	0.026	2	120.7957	0.020	6	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[3x5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[3x5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[3x5,6]N[5,5,6]C[5,6a]C[5,5])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[3x5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6,6a](C[3x5,6]N[5,5,6]C[5,6a]C[5,5])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|S<4>,3|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6,6a]C[6a])	120.8720	0.000	1	120.8720	0.000	1	120.7957	0.020	6	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,5,6,6]C[5,6,6a])(C[6a]C[6a]C)(H)	C[5,6,6a](C[5,5,6,6]C[4,5,6,6]O[5,5]C[6])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,5,6,6]C[5,6,6a])(C[6a]C[6a]C)(H){1|O<2>,2|C<3>,3|C<4>}	C[5,6,6a](C[5,5,6,6]C[4,5,6,6]O[5,5]C[6])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6,6a]C[6a])	120.4780	0.000	1	120.4780	0.000	1	120.9435	0.099	4	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,5,6,6]C[5,6,6a])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,5,6,6]C[5,6,6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6,6a](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,5|H<1>}	H(C[6a]C[5,6,6a]C[6a])	121.1620	0.000	1	121.0935	0.009	2	120.9435	0.099	4	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,5,6,6]C[5,6,6a])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,5,6,6]C[5,6,6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6,6a](C[5,5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|O<2>,5|H<1>}	H(C[6a]C[5,6,6a]C[6a])	121.0250	0.000	1	121.0935	0.009	2	120.9435	0.099	4	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,5,6,6]C[5,6,6a])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,5,6,6]C[5,6,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){4|C<3>,6|H<1>}	H(C[6a]C[5,6,6a]C[6a])	121.1090	0.000	1	121.1090	0.000	1	120.9435	0.099	4	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a,6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a,6a]H)(H){1|C<4>,1|O<2>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a]C[6a]H){1|H<1>,7|C<3>}	H(C[6a]C[5,6,6a]C[6a])	121.2270	0.225	2	121.2270	0.051	2	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]Br)(H)	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]Br)(H){1|Br<1>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6a]C[5,6,6a]C[6a])	121.1450	0.000	1	121.6665	0.544	2	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]Br)(H)	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]Br)(H){1|Br<1>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6,6a]C[6a])	122.1880	0.000	1	121.6665	0.544	2	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[3,3x5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,5,6]C[3,3x5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	H(C[6a]C[5,6,6a]C[6a])	121.4820	1.342	2	121.4820	1.801	2	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[3,5,6]N[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,5,6]C[3,5,6]N[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6a]C[5,6,6a]C[6a])	118.7050	0.000	1	118.7050	0.000	1	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[3,5,6]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,5,6]C[3,5,6]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6,6a]C[6a])	116.2370	0.000	1	120.9390	16.592	3	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[3,5,6]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,5,6]C[3,5,6]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6,6a]C[6a])	123.2900	0.147	2	120.9390	16.592	3	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|Cl<1>,2|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6,6a]C[6a])	121.1180	0.035	2	120.8072	0.262	6	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6,6a]C[6a])	120.5967	0.702	3	120.8072	0.262	6	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	H(C[6a]C[5,6,6a]C[6a])	120.8170	0.000	1	120.8072	0.262	6	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,5,6]C[3,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	H(C[6a]C[5,6,6a]C[6a])	121.1885	0.108	2	121.1885	0.012	2	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6a]C[5,6,6a]C[6a])	120.9790	0.000	1	121.0495	0.010	2	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6,6a]C[6a])	121.1200	0.000	1	121.0495	0.010	2	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[4,5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,5,6]C[4,5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	H(C[6a]C[5,6,6a]C[6a])	121.2871	0.110	10	121.2871	0.012	10	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,5,3x6]C[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6,6a](C[5,5,6]C[5,5,3x6]C[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	H(C[6a]C[5,6,6a]C[6a])	121.1465	0.144	2	121.1465	0.021	2	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,5,3x6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6,6a](C[5,5,6]C[5,5,3x6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6,6a]C[6a])	121.2620	0.016	2	121.2620	0.000	2	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,5,3x6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,5,6]C[5,5,3x6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6,6a]C[6a])	121.3880	0.000	1	121.3880	0.000	1	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,5,6]C[5,5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	H(C[6a]C[5,6,6a]C[6a])	120.8520	0.133	2	121.0107	0.059	16	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,5,6]C[5,5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6,6a]C[6a])	121.0334	0.249	14	121.0107	0.059	16	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,5,6]C[5,5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6,6a]C[6a])	121.0186	0.048	8	121.0186	0.002	8	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	H(C[6a]C[5,6,6a]C[6a])	120.9790	0.000	1	120.9977	0.002	3	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6,6a](C[5,5,6]C[5,5,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,6|H<1>}	H(C[6a]C[5,6,6a]C[6a])	121.0070	0.057	2	120.9977	0.002	3	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,5,6]N[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6,6a](C[5,5,6]C[5,5,6]N[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	H(C[6a]C[5,6,6a]C[6a])	120.8450	0.000	1	120.8450	0.000	1	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	H(C[6a]C[5,6,6a]C[6a])	121.3300	0.000	1	121.1284	0.028	7	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6,6a]C[6a])	121.2335	0.011	2	121.1284	0.028	7	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6,6a]C[6a])	121.0550	0.000	1	121.1284	0.028	7	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6,6a]C[6a])	121.0157	0.174	3	121.1284	0.028	7	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,6,6a]Ge[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|Ge<3>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6,6a](C[5,5,6]C[5,5,6]N[5,5]H)(C[5,6,6a]Ge[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6,6a]C[6a])	120.4090	0.000	1	120.4090	0.000	1	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6,6a]C[6a])	121.3280	0.000	1	121.2965	0.002	2	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6,6a]C[6a])	121.2650	0.000	1	121.2965	0.002	2	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	H(C[6a]C[5,6,6a]C[6a])	121.2188	0.113	6	121.2188	0.013	6	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6a]C[5,6,6a]C[6a])	121.3710	0.000	1	121.3725	0.000	2	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6,6a]C[6a])	121.3740	0.000	1	121.3725	0.000	2	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]Si)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6,6a](C[5,5,6]C[5,5,6]O[5,5]Si)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|Si<4>,1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6,6a]C[6a])	120.8205	0.057	2	120.8205	0.003	2	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,5]C[5,6]Br)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,3|C<4>}	C[5,6,6a](C[5,5,6]C[5,5]C[5,6]Br)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|Br<1>,1|C<3>,1|C<4>,5|H<1>}	H(C[6a]C[5,6,6a]C[6a])	121.5430	0.000	1	121.5430	0.000	1	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,5,6]C[5,6,6]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6,6a]C[6a])	120.9483	0.097	8	120.9483	0.009	8	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	H(C[6a]C[5,6,6a]C[6a])	121.0763	0.125	3	121.0499	0.029	11	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,5|C<3>}	H(C[6a]C[5,6,6a]C[6a])	121.1050	0.151	3	121.0499	0.029	11	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	H(C[6a]C[5,6,6a]C[6a])	121.1730	0.004	2	121.0499	0.029	11	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	H(C[6a]C[5,6,6a]C[6a])	120.6360	0.000	1	121.0499	0.029	11	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6,6a]C[6a])	121.0115	0.047	2	121.0499	0.029	11	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6,6a]P[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,1|P<4>,2|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]C[6a])(C[5,6,6a]P[5,5,6]C[6a])(C[6a]C[6a]H){1|Mo<6>,1|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6,6a]C[6a])	120.7020	0.000	1	120.7020	0.000	1	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6a]C[5,6,6a]C[6a])	121.5020	0.383	3	121.3123	0.111	8	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6,6a]C[6a])	121.3920	0.008	2	121.3123	0.111	8	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	H(C[6a]C[5,6,6a]C[6a])	120.7170	0.000	1	121.3123	0.111	8	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6,6a]C[6a])	121.2455	0.022	2	121.3123	0.111	8	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6,6]S[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	C[5,6,6a](C[5,5,6]C[5,6,6]S[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6,6a]C[6a])	122.1845	1.505	2	122.1845	2.266	2	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|Sn<4>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6,6a]C[6a])	120.7595	0.137	11	120.7595	0.019	11	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	H(C[6a]C[5,6,6a]C[6a])	120.6570	0.099	2	120.6570	0.010	2	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6,6a]C[6a])	120.8535	0.134	2	120.8170	0.020	4	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5,6,6a]C[6a])	120.7805	0.189	2	120.8170	0.020	4	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]Ge[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|Ge<4>,1|C<4>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,5,6]C[5,6,6a]Ge[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6,6a]C[6a])	120.3477	0.088	3	120.3477	0.008	3	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|Mn<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6,6a]C[6a])	121.0542	0.224	4	121.1356	0.027	18	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6,6a]C[6a])	121.1753	0.148	7	121.1356	0.027	18	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|Ni<3>,3|C<3>,3|H<1>}	H(C[6a]C[5,6,6a]C[6a])	121.1670	0.199	4	121.1356	0.027	18	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|P<3>,3|C<3>,3|H<1>}	H(C[6a]C[5,6,6a]C[6a])	121.1097	0.106	3	121.1356	0.027	18	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,6|C<3>}	H(C[6a]C[5,6,6a]C[6a])	120.3320	0.000	1	120.9914	0.086	13	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	H(C[6a]C[5,6,6a]C[6a])	121.0463	0.225	12	120.9914	0.086	13	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<4>,1|P<3>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|Cl<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6,6a]C[6a])	120.8038	0.085	4	120.7072	0.044	49	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<4>,1|P<3>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5,6,6a]C[6a])	120.6206	0.132	8	120.7072	0.044	49	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|Ni<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6,6a]C[6a])	120.7030	0.255	26	120.7072	0.044	49	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|Ni<6>,1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5,6,6a]C[6a])	120.6967	0.085	7	120.7072	0.044	49	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|S<1>,3|C<3>,4|H<1>}	H(C[6a]C[5,6,6a]C[6a])	120.8300	0.206	4	120.7072	0.044	49	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]Si[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|Si<3>,1|C<4>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,5,6]C[5,6,6a]Si[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6,6a]C[6a])	120.5005	0.067	4	120.1007	0.640	11	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]Si[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,5,6]C[5,6,6a]Si[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6,6a]C[6a])	120.3577	0.053	3	120.1007	0.640	11	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]Si[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,5,6]C[5,6,6a]Si[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){4|C<3>,4|H<1>}	H(C[6a]C[5,6,6a]C[6a])	119.5083	1.175	4	120.1007	0.640	11	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	H(C[6a]C[5,6,6a]C[6a])	120.9777	0.204	6	121.0657	0.041	14	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|S<4>,2|H<1>,5|C<3>}	H(C[6a]C[5,6,6a]C[6a])	121.0100	0.000	1	121.0657	0.041	14	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	H(C[6a]C[5,6,6a]C[6a])	121.1885	0.088	2	121.0657	0.041	14	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|P<4>,2|H<1>,6|C<3>}	H(C[6a]C[5,6,6a]C[6a])	121.0093	0.220	3	121.0657	0.041	14	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|P<4>,4|C<3>,4|H<1>}	H(C[6a]C[5,6,6a]C[6a])	121.2560	0.000	1	121.0657	0.041	14	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6,6a](C[5,5,6]C[5,6]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){3|H<1>,6|C<3>}	H(C[6a]C[5,6,6a]C[6a])	121.3830	0.000	1	121.0657	0.041	14	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](C[5,5,6]O[5,5]P[5,6]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,1|P<4>,2|C<3>}	C[5,6,6a](C[5,5,6]O[5,5]P[5,6]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|W<6>,2|H<1>,4|C<3>}	H(C[6a]C[5,6,6a]C[6a])	121.2220	0.000	1	121.2220	0.000	1	120.9370	0.338	240	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[6a]-3:H-1:	P[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]P[5,5,6])(C[6a]C[6a]H)(H)	C[5,6,6a](P[5,5,6]C[5,6,6]O[5,5]Mo)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6,6a]C[6a])	C[6a](C[5,6,6a]C[5,6,6a]P[5,5,6])(C[6a]C[6a]H)(H){1|Mo<6>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6,6a](P[5,5,6]C[5,6,6]O[5,5]Mo)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6,6a]C[6a])	120.8560	0.000	1	120.8560	0.000	1	120.8560	0.000	1	120.9308	0.335	264	120.9631	0.342	376	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:2:1:	3:3:3:	3:	C[5,6a]-3:N[6a]-2:H-1:	C[5,6a]-3:As[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]As[5])(N[6a]C[6a])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(As[5]C[5,6a]C[6a])(C[6a]N[6a]H)	H(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]As[5])(N[6a]C[6a])(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(As[5]C[5,6a]C[6a])(C[6a]N[6a]H){1|H<1>,5|C<3>}	H(C[6a]C[5,6a]N[6a])	118.0080	0.000	1	118.0080	0.000	1	118.0080	0.000	1	119.4229	1.427	13	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:2:1:	3:3:3:	3:	C[5,6a]-3:N[6a]-2:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]N[6a]H)	H(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H){1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]N[6a]H){1|H<1>,3|C<3>}	H(C[6a]C[5,6a]N[6a])	119.4400	0.000	1	119.4400	0.000	1	119.4400	0.000	1	119.4229	1.427	13	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:2:1:	3:3:3:	3:	C[5,6a]-3:N[6a]-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[5a,6a])(H)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]N[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[5a,6a])(H){1|O<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]N[6a]H)(C[5]N[5]O){1|O<1>,3|C<3>}	H(C[6a]C[5,6a]N[6a])	118.7320	0.000	1	118.7320	0.000	1	119.0640	0.063	4	119.4229	1.427	13	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:2:1:	3:3:3:	3:	C[5,6a]-3:N[6a]-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(H){1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]H)(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>}	H(C[6a]C[5,6a]N[6a])	119.1660	0.000	1	119.1660	0.000	1	119.0640	0.063	4	119.4229	1.427	13	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:2:1:	3:3:3:	3:	C[5,6a]-3:N[6a]-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H){1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]H)(C[5]C[5]O){1|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]N[6a])	119.0330	0.000	1	119.0330	0.000	1	119.0640	0.063	4	119.4229	1.427	13	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:2:1:	3:3:3:	3:	C[5,6a]-3:N[6a]-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]H)(C[5]N[5]O){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]N[6a])	119.3250	0.000	1	119.3250	0.000	1	119.0640	0.063	4	119.4229	1.427	13	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:2:1:	3:3:3:	3:	C[5,6a]-3:N[6a]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]H)(N[5]C[5]Co)	H(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(H){1|Co<6>,1|C<3>,1|N<2>,2|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]H)(N[5]C[5]Co){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[5,6a]N[6a])	120.5640	0.000	1	120.5640	0.000	1	120.4864	1.304	5	119.4229	1.427	13	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:2:1:	3:3:3:	3:	C[5,6a]-3:N[6a]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]H)(N[5]C[5]Cu)	H(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(H){1|Cu<5>,1|C<3>,1|N<2>,2|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]H)(N[5]C[5]Cu){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[5,6a]N[6a])	119.7990	0.911	2	119.7990	0.829	2	120.4864	1.304	5	119.4229	1.427	13	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:2:1:	3:3:3:	3:	C[5,6a]-3:N[6a]-2:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]H)(N[5]C[5]Zn)	H(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(H){1|Zn<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]H)(N[5]C[5]Zn){1|C<3>,2|H<1>}	H(C[6a]C[5,6a]N[6a])	121.1350	1.611	2	121.1350	2.595	2	120.4864	1.304	5	119.4229	1.427	13	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:2:1:	3:3:3:	3:	C[5,6a]-3:N[6a]-2:H-1:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(N[6a]C[6a])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a])(C[6a]N[6a]H)	H(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]P[5])(N[6a]C[6a])(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a])(C[6a]N[6a]H){1|H<1>,5|C<3>}	H(C[6a]C[5,6a]N[6a])	118.1810	0.680	2	118.1810	0.463	2	118.1810	0.463	2	119.4229	1.427	13	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:2:1:	3:3:4:	3:	C[5,6a]-3:N[6a]-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[5a,6a])(H)	C[5,6a](C[5,6a]N[5a,6a]C[5])(C[6a]N[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[5a,6a])(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]N[5a,6a]C[5])(C[6a]N[6a]H)(C[5]C[5]HH){1|C<3>,1|N<2>,4|H<1>}	H(C[6a]C[5,6a]N[6a])	118.3950	0.000	1	118.3950	0.000	1	118.7603	0.287	3	119.0480	0.522	4	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:2:1:	3:3:4:	3:	C[5,6a]-3:N[6a]-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]H)(C[5]O[5]HH)	H(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]H)(C[5]O[5]HH){1|C<3>,1|N<3>,1|O<2>}	H(C[6a]C[5,6a]N[6a])	119.3750	0.000	1	119.3750	0.000	1	118.7603	0.287	3	119.0480	0.522	4	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:2:1:	3:3:4:	3:	C[5,6a]-3:N[6a]-2:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]N[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]N[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6a]C[5,6a]N[6a])	118.5110	0.000	1	118.5110	0.000	1	118.7603	0.287	3	119.0480	0.522	4	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:2:1:	3:3:4:	3:	C[5,6a]-3:N[6a]-2:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(N[6a]C[6a])(H)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[6a]H)(S[5]O[5]OO)	H(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]S[5])(N[6a]C[6a])(H){1|C<4>,1|O<2>,2|N<2>,2|O<1>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[6a]H)(S[5]O[5]OO){1|C<3>,2|C<4>}	H(C[6a]C[5,6a]N[6a])	119.9110	0.000	1	119.9110	0.000	1	119.9110	0.000	1	119.0480	0.522	4	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:2:1:	3:4:3:	3:	C[5,6a]-3:N[6a]-2:H-1:	C[5,6a]-3:As[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]As[5])(N[6a]C[6a])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(As[5]C[5,6a]C[6a]O)(C[6a]N[6a]H)	H(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]As[5])(N[6a]C[6a])(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(As[5]C[5,6a]C[6a]O)(C[6a]N[6a]H){1|H<1>,5|C<3>}	H(C[6a]C[5,6a]N[6a])	118.4900	0.232	2	118.4900	0.054	2	118.4900	0.054	2	119.1412	1.588	14	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:2:1:	3:4:3:	3:	C[5,6a]-3:N[6a]-2:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(N[6a]C[6a,6a])(H)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5,6]C[5,6]O[6]H)(C[6a]N[6a]H)	H(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(N[6a]C[6a,6a])(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5,6]C[5,6]O[6]H)(C[6a]N[6a]H){1|Br<1>,4|C<3>}	H(C[6a]C[5,6a]N[6a])	118.7690	0.000	1	118.7690	0.000	1	118.7690	0.000	1	119.1412	1.588	14	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:2:1:	3:4:3:	3:	C[5,6a]-3:N[6a]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a]H)(C[6a]N[6a]H)	H(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a]H)(C[6a]N[6a]H){6|C<3>}	H(C[6a]C[5,6a]N[6a])	118.5970	0.000	1	118.5970	0.000	1	119.8521	2.140	7	119.1412	1.588	14	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:2:1:	3:4:3:	3:	C[5,6a]-3:N[6a]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H)	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]HH)(C[6a]N[6a]H)	H(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H){1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]HH)(C[6a]N[6a]H){1|C<3>,1|H<1>,3|C<4>}	H(C[6a]C[5,6a]N[6a])	118.8610	0.000	1	118.8610	0.000	1	119.8521	2.140	7	119.1412	1.588	14	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:2:1:	3:4:3:	3:	C[5,6a]-3:N[6a]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[6a]H)(C[6a]N[6a]H)	H(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H){1|N<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[6a]H)(C[6a]N[6a]H){5|C<3>}	H(C[6a]C[5,6a]N[6a])	119.5490	0.014	2	119.5490	0.000	2	119.8521	2.140	7	119.1412	1.588	14	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:2:1:	3:4:3:	3:	C[5,6a]-3:N[6a]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]N[6a]H)	H(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]N[6a]H){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]N[6a])	118.7170	0.000	1	118.7170	0.000	1	119.8521	2.140	7	119.1412	1.588	14	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:2:1:	3:4:3:	3:	C[5,6a]-3:N[6a]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]N[6a]H)	H(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]N[6a]H){1|H<1>,1|O<1>,4|C<3>}	H(C[6a]C[5,6a]N[6a])	121.8460	0.928	2	121.8460	0.861	2	119.8521	2.140	7	119.1412	1.588	14	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:2:1:	3:4:3:	3:	C[5,6a]-3:N[6a]-2:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(N[6a]C[6a])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]O)(C[6a]N[6a]H)	H(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]P[5])(N[6a]C[6a])(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]O)(C[6a]N[6a]H){1|H<1>,5|C<3>}	H(C[6a]C[5,6a]N[6a])	118.6575	0.104	2	118.6575	0.011	2	118.6575	0.011	2	119.1412	1.588	14	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:2:1:	3:4:3:	3:	C[5,6a]-3:N[6a]-2:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(N[6a]C[6a])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]2)(C[6a]N[6a]H)	H(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(N[6a]C[6a])(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]2)(C[6a]N[6a]H){1|H<1>,7|C<3>}	H(C[6a]C[5,6a]N[6a])	117.9740	0.154	2	117.9740	0.024	2	117.9740	0.024	2	119.1412	1.588	14	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:2:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:O[5]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6a]C[5,5,6]C[6,6a])(O[5]C[5,5,6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6,6a]C[5,5,6]C[6,6a])(O[5]C[5,5,6])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.8090	0.000	1	121.8090	0.000	1	121.1820	0.786	2	120.7789	0.588	76	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:2:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:O[5]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(O[5]Si[4,5,5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(H){1|Si<6>,1|C<3>,1|H<1>,1|N<3>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(O[5]Si[4,5,5])(C[6a]C[6a]H){1|H<1>,2|N<3>,2|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5550	0.000	1	120.5550	0.000	1	121.1820	0.786	2	120.7789	0.588	76	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:2:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:Se[5]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(Se[5]C[5,6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6a,6a]H)(H){4|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(Se[5]C[5,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6310	0.024	2	120.6310	0.001	2	120.6310	0.001	2	120.7789	0.588	76	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:2:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Br[5]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Br[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Br[5]C[5,6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Br[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Br[5]C[5,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	122.1385	0.059	2	122.1385	0.003	2	122.1385	0.003	2	120.7789	0.588	76	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:2:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,3x6]C[6a])(N[5]C[5,6,6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,3x6]C[6a])(N[5]C[5,6,6])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.9655	0.180	2	120.9273	0.021	3	121.0320	0.054	11	120.7789	0.588	76	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:2:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,3x6]C[6a])(N[5]C[5,6,6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,3x6]C[6a])(N[5]C[5,6,6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8510	0.000	1	120.9273	0.021	3	121.0320	0.054	11	120.7789	0.588	76	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:2:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,3x6]C[6a])(N[5]C[5,6,6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,5,3x6]C[6a])(N[5]C[5,6,6])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.0850	0.000	1	121.0850	0.000	1	121.0320	0.054	11	120.7789	0.588	76	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:2:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0770	0.000	1	121.2065	0.034	2	121.0320	0.054	11	120.7789	0.588	76	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:2:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.3360	0.000	1	121.2065	0.034	2	121.0320	0.054	11	120.7789	0.588	76	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:2:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.8910	0.348	3	121.0144	0.091	5	121.0320	0.054	11	120.7789	0.588	76	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:2:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1995	0.083	2	121.0144	0.091	5	121.0320	0.054	11	120.7789	0.588	76	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:2:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[4,5,6]C[6a,6a])(O[5]C[4,5,6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[4,5,6]C[6a,6a])(O[5]C[4,5,6])(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2760	0.000	1	121.2760	0.000	1	121.1285	0.391	31	120.7789	0.588	76	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:2:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(O[5]C[5,5,6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(O[5]C[5,5,6])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3350	0.000	1	121.3350	0.000	1	121.1285	0.391	31	120.7789	0.588	76	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:2:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(O[5]C[5,5,6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(O[5]C[5,5,6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.5720	0.000	1	121.5720	0.000	1	121.1285	0.391	31	120.7789	0.588	76	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:2:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(O[5]Si[4,4,5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|Si<6>,1|C<3>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(O[5]Si[4,4,5])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|N<3>}	H(C[6a]C[5,6a]C[6a])	120.3090	0.000	1	120.3090	0.000	1	121.1285	0.391	31	120.7789	0.588	76	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:2:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5,5]C[6a])(O[5]C[4,5,5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[4,5,5]C[6a])(O[5]C[4,5,5])(C[6a]C[6a]H){1|Ge<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5160	0.000	1	121.4510	0.008	2	121.1285	0.391	31	120.7789	0.588	76	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:2:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5,5]C[6a])(O[5]C[4,5,5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[4,5,5]C[6a])(O[5]C[4,5,5])(C[6a]C[6a]H){1|Si<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3860	0.000	1	121.4510	0.008	2	121.1285	0.391	31	120.7789	0.588	76	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:2:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,3x6]C[6a])(O[5]C[5,6,6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,3x6]C[6a])(O[5]C[5,6,6])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.8995	0.120	2	121.8995	0.014	2	121.1285	0.391	31	120.7789	0.588	76	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:2:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(O[5]C[5,5,6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(O[5]C[5,5,6])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3970	0.000	1	121.3375	0.007	2	121.1285	0.391	31	120.7789	0.588	76	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:2:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(O[5]C[5,5,6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(O[5]C[5,5,6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2780	0.000	1	121.3375	0.007	2	121.1285	0.391	31	120.7789	0.588	76	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:2:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(O[5]P[5,5,6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<5>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(O[5]P[5,5,6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5030	0.000	1	120.5030	0.000	1	121.1285	0.391	31	120.7789	0.588	76	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:2:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(O[5]C[5,6,6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(O[5]C[5,6,6])(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.6840	0.000	1	121.4453	0.040	4	121.1285	0.391	31	120.7789	0.588	76	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:2:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(O[5]C[5,6,6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(O[5]C[5,6,6])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4505	0.011	2	121.4453	0.040	4	121.1285	0.391	31	120.7789	0.588	76	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:2:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(O[5]C[5,6,6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(O[5]C[5,6,6])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1960	0.000	1	121.4453	0.040	4	121.1285	0.391	31	120.7789	0.588	76	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:2:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5x3,6x5,20x6]C[6a])(O[5]B[5x3,6x5,20x6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|B<6>,1|C<3>,1|C<6>,1|F<1>}	C[5,6a](C[5,6a]C[5x3,6x5,20x6]C[6a])(O[5]B[5x3,6x5,20x6])(C[6a]C[6a]H){1|C<3>,1|C<6>,2|H<1>,5|B<6>}	H(C[6a]C[5,6a]C[6a])	120.8960	0.000	1	121.1593	0.104	3	121.1285	0.391	31	120.7789	0.588	76	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:2:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5x3,6x5,20x6]C[6a])(O[5]B[5x3,6x5,20x6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|B<6>,1|C<3>,1|C<6>,1|H<1>}	C[5,6a](C[5,6a]C[5x3,6x5,20x6]C[6a])(O[5]B[5x3,6x5,20x6])(C[6a]C[6a]H){1|C<3>,1|C<6>,1|H<1>,1|O<2>,5|B<6>}	H(C[6a]C[5,6a]C[6a])	121.5190	0.000	1	121.1593	0.104	3	121.1285	0.391	31	120.7789	0.588	76	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:2:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5x3,6x5,20x6]C[6a])(O[5]B[5x3,6x5,20x6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|B<6>,1|C<3>,1|C<6>,1|H<1>}	C[5,6a](C[5,6a]C[5x3,6x5,20x6]C[6a])(O[5]B[5x3,6x5,20x6])(C[6a]C[6a]H){1|C<3>,1|C<6>,2|H<1>,5|B<6>}	H(C[6a]C[5,6a]C[6a])	121.0630	0.000	1	121.1593	0.104	3	121.1285	0.391	31	120.7789	0.588	76	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:2:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(O[5]Si[4,5,5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Si<6>,1|C<3>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(O[5]Si[4,5,5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|N<3>}	H(C[6a]C[5,6a]C[6a])	120.8420	0.045	2	120.8420	0.002	2	121.1285	0.391	31	120.7789	0.588	76	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:2:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(O[5]Si[4,5,5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Si<5>,1|C<3>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(O[5]Si[4,5,5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7318	0.207	4	120.7318	0.043	4	121.1285	0.391	31	120.7789	0.588	76	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:2:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6,6]C[6a])(O[5]C[5,6,6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]N[5,6,6]C[6a])(O[5]C[5,6,6])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	119.7140	1.178	2	120.3183	1.790	3	121.1285	0.391	31	120.7789	0.588	76	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:2:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6,6]C[6a])(O[5]C[5,6,6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]N[5,6,6]C[6a])(O[5]C[5,6,6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5270	0.000	1	120.3183	1.790	3	121.1285	0.391	31	120.7789	0.588	76	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:2:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(O[5]C[4,5,6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(O[5]C[4,5,6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5090	0.000	1	120.5090	0.000	1	121.1285	0.391	31	120.7789	0.588	76	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:2:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(O[5]C[5,5,6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(O[5]C[5,5,6])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	121.9810	0.000	1	121.7590	0.049	3	121.1285	0.391	31	120.7789	0.588	76	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:2:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(O[5]C[5,5,6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(O[5]C[5,5,6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	121.6480	0.157	2	121.7590	0.049	3	121.1285	0.391	31	120.7789	0.588	76	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:2:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(S[5]Nb[3,3x5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|Nb<7>,1|C<3>,1|H<1>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(S[5]Nb[3,3x5])(C[6a]C[6a]H){1|C<3>,1|S<3>,2|H<1>,4|S<2>}	H(C[6a]C[5,6a]C[6a])	119.7082	0.096	4	119.7082	0.009	4	119.8429	0.091	9	120.7789	0.588	76	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:2:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(S[5]C[4,5,6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(S[5]C[4,5,6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6250	0.000	1	120.6250	0.000	1	119.8429	0.091	9	120.7789	0.588	76	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:2:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(S[5]Si[5,6,6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|Si<6>,1|C<3>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(S[5]Si[5,6,6])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|O<2>}	H(C[6a]C[5,6a]C[6a])	119.7730	0.034	3	119.7730	0.001	3	119.8429	0.091	9	120.7789	0.588	76	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:2:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]S[3,5]C[6a])(S[5]Nb[3,3x5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|Nb<7>,1|C<3>,1|H<1>,1|S<3>}	C[5,6a](C[5,6a]S[3,5]C[6a])(S[5]Nb[3,3x5])(C[6a]C[6a]H){1|C<3>,2|H<1>,5|S<2>}	H(C[6a]C[5,6a]C[6a])	119.8090	0.000	1	119.8090	0.000	1	119.8429	0.091	9	120.7789	0.588	76	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:2:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Se[5]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[5,6a])(Se[5]C[5,5a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[5,6a]H)(H){1|Se<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[5,6a])(Se[5]C[5,5a])(C[6a]C[6a]H){1|H<1>,1|S<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5032	0.158	4	120.5032	0.025	4	120.3355	0.565	19	120.7789	0.588	76	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:2:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Se[5]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[5a,6a]Si)(H)	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(Se[5]C[5,6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[5a,6a]Si)(H){1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(Se[5]C[5,6a])(C[6a]C[6a]H){1|Si<4>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	118.9952	0.074	4	118.9952	0.005	4	120.3355	0.565	19	120.7789	0.588	76	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:2:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Se[5]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Se[5]C[5,6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Se[5]C[5,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0195	0.084	4	120.7990	0.092	8	120.3355	0.565	19	120.7789	0.588	76	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:2:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Se[5]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Se[5]C[5,6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Se[5]C[5,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5785	0.281	4	120.7990	0.092	8	120.3355	0.565	19	120.7789	0.588	76	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:2:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Se[5]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Se[5]N[5,6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Se[5]N[5,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6627	0.227	3	120.6627	0.052	3	120.3355	0.565	19	120.7789	0.588	76	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]S[5])2(H)	C[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[6a]C[5,6a]H)(S[5]S[5])	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a,6a]S[5])2(H){2|S<2>,3|C<3>}	C[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[6a]C[5,6a]H)(S[5]S[5]){1|S<2>,3|C<3>}	H(C[6a]C[5,6a]2)	120.9890	0.011	2	120.9890	0.000	2	120.9890	0.000	2	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[5,6a]H)(N[5]C[5,6])	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[5,6a]O[5])(H){2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[5,6a]H)(N[5]C[5,6]){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6a]C[5,6a]2)	122.9220	0.000	1	122.9220	0.000	1	122.9220	0.000	1	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]2)	122.3290	0.000	1	122.3290	0.000	1	122.8961	0.506	95	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]2)	122.1875	0.080	2	122.5506	0.142	8	122.8961	0.506	95	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|N<3>,1|O<2>,4|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]2)	123.3570	0.000	1	122.5506	0.142	8	122.8961	0.506	95	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H){1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]2)	122.4605	0.110	2	122.5506	0.142	8	122.8961	0.506	95	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H){1|O<2>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]2)	122.5840	0.145	3	122.5506	0.142	8	122.8961	0.506	95	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,5|H<1>}	H(C[6a]C[5,6a]2)	121.5880	0.000	1	121.6930	0.032	4	122.8961	0.506	95	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]2)	121.6100	0.000	1	121.6930	0.032	4	122.8961	0.506	95	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|H<1>,1|O<1>,3|C<3>}	H(C[6a]C[5,6a]2)	121.7870	0.243	2	121.6930	0.032	4	122.8961	0.506	95	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|H<1>,2|C<4>,3|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]2)	122.3140	0.000	1	122.4382	0.099	28	122.8961	0.506	95	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]2)	123.4950	0.000	1	122.4382	0.099	28	122.8961	0.506	95	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]2)	123.0370	0.000	1	122.4382	0.099	28	122.8961	0.506	95	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]2)	122.2160	0.078	2	122.4382	0.099	28	122.8961	0.506	95	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]2)	122.2210	0.000	1	122.4382	0.099	28	122.8961	0.506	95	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]2)	121.7880	0.000	1	122.4382	0.099	28	122.8961	0.506	95	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]2)	122.7080	0.007	2	122.4382	0.099	28	122.8961	0.506	95	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]2)	122.7450	0.000	1	122.4382	0.099	28	122.8961	0.506	95	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]2)	122.2400	0.000	1	122.4382	0.099	28	122.8961	0.506	95	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]2)	122.3140	0.086	8	122.4382	0.099	28	122.8961	0.506	95	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|N<3>,2|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]2)	122.5465	0.137	4	122.4382	0.099	28	122.8961	0.506	95	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){2|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]2)	122.3615	0.095	2	122.4382	0.099	28	122.8961	0.506	95	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){2|C<3>,2|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]2)	122.3867	0.097	3	122.4382	0.099	28	122.8961	0.506	95	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(O[5]C[5,6])	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(O[5]C[5,6]){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	H(C[6a]C[5,6a]2)	122.6157	0.635	4	122.6718	0.318	5	122.8961	0.506	95	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(O[5]C[5,6])	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[5,6a]O[5])(H){2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(O[5]C[5,6]){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	H(C[6a]C[5,6a]2)	122.8960	0.000	1	122.6718	0.318	5	122.8961	0.506	95	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|Ir<8>,1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]2)	124.2410	0.000	1	124.2410	0.000	1	122.8961	0.506	95	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[5,6a]P[5])(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[5,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[5,6a]P[5])(H){1|O<2>,1|P<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|H<1>,1|P<2>}	H(C[6a]C[5,6a]2)	121.7250	0.000	1	121.7250	0.000	1	122.8961	0.506	95	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])2(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]H)(O[5]C[5,5])	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]O[5])2(H){1|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]H)(O[5]C[5,5]){1|H<1>,3|C<3>,3|O<2>}	H(C[6a]C[5,6a]2)	122.8345	0.062	4	122.8345	0.004	4	122.8961	0.506	95	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])2(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(O[5]C[5,6])	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]O[5])2(H){1|C<3>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(O[5]C[5,6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]2)	123.2690	0.293	2	123.2690	0.086	2	122.8961	0.506	95	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5,5])	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]O[5])2(H){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5,5]){1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]2)	123.0160	0.000	1	123.0160	0.000	1	122.8961	0.506	95	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]O[5])2(H){1|C<3>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]2)	123.5820	0.000	1	123.3019	0.070	8	122.8961	0.506	95	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]O[5])2(H){1|C<3>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]2)	123.0170	0.048	2	123.3019	0.070	8	122.8961	0.506	95	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]O[5])2(H){1|C<3>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]2)	122.9480	0.000	1	123.3019	0.070	8	122.8961	0.506	95	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]O[5])2(H){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	H(C[6a]C[5,6a]2)	123.4627	0.081	4	123.3019	0.070	8	122.8961	0.506	95	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])2(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]O[5])2(H){1|C<3>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	H(C[6a]C[5,6a]2)	123.1798	0.296	6	123.5554	0.159	31	122.8961	0.506	95	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])2(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]O[5])2(H){1|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6a]C[5,6a]2)	123.7433	0.339	6	123.5554	0.159	31	122.8961	0.506	95	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])2(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]O[5])2(H){1|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	H(C[6a]C[5,6a]2)	123.7161	0.383	14	123.5554	0.159	31	122.8961	0.506	95	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])2(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]O[5])2(H){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]2)	122.9700	0.000	1	123.5554	0.159	31	122.8961	0.506	95	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])2(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]O[5])2(H){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	H(C[6a]C[5,6a]2)	123.4205	0.080	4	123.5554	0.159	31	122.8961	0.506	95	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]Si[5])(C[5,6a]C[5,6a]O[5])(H){1|Si<4>,1|C<3>,1|O<2>,4|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|Si<4>,1|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]2)	120.5030	0.000	1	120.5030	0.000	1	122.8961	0.506	95	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[5,6a]P[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(P[5]C[5])	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[5,6a]P[5])(H){1|O<2>,1|P<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(P[5]C[5]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6a]C[5,6a]2)	121.7300	0.000	1	121.7300	0.000	1	121.7300	0.000	1	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]S[5])(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]H)(S[5]C[5])	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]S[5])(H){1|N<3>,1|O<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]H)(S[5]C[5]){1|H<1>,3|C<3>}	H(C[6a]C[5,6a]2)	121.5450	0.135	6	121.5450	0.018	6	120.9372	1.739	16	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])2(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]H)(S[5]C[5])	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]S[5])2(H){1|C<3>,2|C<4>,2|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]H)(S[5]C[5]){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	H(C[6a]C[5,6a]2)	120.5972	0.140	6	120.5972	0.020	6	120.9372	1.739	16	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])2(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5,6a]H)(S[5]S[5])	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]S[5])2(H){1|N<3>,2|N<2>,2|S<2>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5,6a]H)(S[5]S[5]){1|C<3>,1|C<4>,1|S<2>}	H(C[6a]C[5,6a]2)	120.5355	2.729	4	120.5355	7.447	4	120.9372	1.739	16	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]Se[5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]H)(Se[5]C[5,5])	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]Se[5])(H){1|Se<2>,1|Si<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]H)(Se[5]C[5,5]){1|Si<4>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]2)	120.2355	0.039	2	120.2355	0.002	2	120.7061	0.995	9	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Se[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H)(Se[5]C[5,6a])	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]Se[5])(C[5,6a]C[5,6a]2)(H){1|Se<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H)(Se[5]C[5,6a]){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]2)	120.6995	0.359	2	120.6995	0.129	2	120.7061	0.995	9	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Se[5])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(Se[5]C[5])	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]Se[5])(C[5,6a]C[5,6a]C[5])(H){1|Se<2>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(Se[5]C[5]){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]2)	121.0850	2.626	2	120.8970	1.801	5	120.7061	0.995	9	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Se[5])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(Se[5]C[5])	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]Se[5])(C[5,6a]C[5,6a]C[5])(H){1|Se<2>,1|S<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(Se[5]C[5]){1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]2)	120.4530	0.000	1	120.8970	1.801	5	120.7061	0.995	9	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Se[5])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(Se[5]C[5])	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]Se[5])(C[5,6a]C[5,6a]C[5])(H){2|Se<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(Se[5]C[5]){1|Se<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]2)	120.9310	0.192	2	120.8970	1.801	5	120.7061	0.995	9	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]2)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]2)(H){1|C<4>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6,6a])	121.3390	0.000	1	121.2653	0.004	3	121.4580	0.351	233	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]2)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]2)(H){1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6,6a])	121.2285	0.019	2	121.2653	0.004	3	121.4580	0.351	233	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6,6a]H)(O[5]C[5,5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|O<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6,6a]H)(O[5]C[5,5]){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6a]C[5,6a]C[6,6a])	121.6640	2.414	2	121.6640	5.828	2	121.4580	0.351	233	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|F<1>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6,6a])	121.5160	0.000	1	121.3064	0.305	176	121.4580	0.351	233	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6,6a])	121.1970	0.000	1	121.3064	0.305	176	121.4580	0.351	233	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6,6a])	121.1777	0.176	9	121.3064	0.305	176	121.4580	0.351	233	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|H<1>,1|N<4>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6,6a])	121.4240	0.000	1	121.3064	0.305	176	121.4580	0.351	233	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6,6a])	120.6630	0.000	1	121.3064	0.305	176	121.4580	0.351	233	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6,6a])	121.0670	0.112	3	121.3064	0.305	176	121.4580	0.351	233	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6,6a])	121.7317	0.659	6	121.3064	0.305	176	121.4580	0.351	233	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6,6a])	121.4097	0.471	12	121.3064	0.305	176	121.4580	0.351	233	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|N<4>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6,6a])	121.9050	0.931	3	121.3064	0.305	176	121.4580	0.351	233	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|Br<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6,6a])	122.2340	0.000	1	121.3064	0.305	176	121.4580	0.351	233	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6,6a])	121.3460	0.329	4	121.3064	0.305	176	121.4580	0.351	233	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6,6a])	122.2598	0.495	5	121.3064	0.305	176	121.4580	0.351	233	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6,6a])	120.8920	0.000	1	121.3064	0.305	176	121.4580	0.351	233	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6,6a])	121.1759	0.947	28	121.3064	0.305	176	121.4580	0.351	233	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6,6a])	121.0626	0.343	7	121.3064	0.305	176	121.4580	0.351	233	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6,6a])	120.9320	0.000	1	121.3064	0.305	176	121.4580	0.351	233	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6,6a])	121.2093	0.090	3	121.3064	0.305	176	121.4580	0.351	233	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6,6a])	121.1012	0.216	9	121.3064	0.305	176	121.4580	0.351	233	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6,6a])	121.6895	0.112	2	121.3064	0.305	176	121.4580	0.351	233	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,1|N<3>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6,6a])	121.4080	0.248	6	121.3064	0.305	176	121.4580	0.351	233	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6,6a])	122.0120	0.000	1	121.3064	0.305	176	121.4580	0.351	233	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6,6a])	121.5298	0.121	4	121.3064	0.305	176	121.4580	0.351	233	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6,6a])	121.4380	0.157	3	121.3064	0.305	176	121.4580	0.351	233	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6,6a])	121.1029	0.437	20	121.3064	0.305	176	121.4580	0.351	233	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6,6a])	121.1963	0.151	3	121.3064	0.305	176	121.4580	0.351	233	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6,6a])	121.1455	0.308	17	121.3064	0.305	176	121.4580	0.351	233	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|N<2>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6,6a])	121.2430	0.000	1	121.3064	0.305	176	121.4580	0.351	233	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6,6a])	121.3340	0.000	1	121.3064	0.305	176	121.4580	0.351	233	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6,6a])	121.5210	0.000	1	121.3064	0.305	176	121.4580	0.351	233	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6,6a])	121.0440	0.000	1	121.3064	0.305	176	121.4580	0.351	233	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6,6a])	121.4768	0.279	18	121.3064	0.305	176	121.4580	0.351	233	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){1|O<2>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6,6a])	121.3590	0.000	1	121.3064	0.305	176	121.4580	0.351	233	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6])(H){2|C<3>,2|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6,6a])	121.1870	0.000	1	121.3064	0.305	176	121.4580	0.351	233	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]N[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]N[6])(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6,6a])	121.8088	0.226	5	121.9035	0.062	11	121.4580	0.351	233	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]N[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]N[6])(H){1|N<2>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6,6a])	122.0515	0.216	2	121.9035	0.062	11	121.4580	0.351	233	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]N[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]N[6])(H){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|N<2>,3|H<1>}	H(C[6a]C[5,6a]C[6,6a])	121.8680	0.000	1	121.9035	0.062	11	121.4580	0.351	233	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]N[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]N[6])(H){1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6,6a])	121.9743	0.364	3	121.9035	0.062	11	121.4580	0.351	233	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]O[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]O[6])(H){1|C<3>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6,6a])	121.8197	0.304	18	121.9851	0.094	38	121.4580	0.351	233	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]O[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]O[6])(H){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6,6a])	122.1339	0.226	20	121.9851	0.094	38	121.4580	0.351	233	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]S[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6a]S[6])(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|O<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|S<4>,3|H<1>}	H(C[6a]C[5,6a]C[6,6a])	122.0990	0.038	3	122.0990	0.001	3	121.4580	0.351	233	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6,6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6,6a]C[6,6a]C[6])(H){1|O<1>,1|S<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6,6a]H)(S[5]C[5]){1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6,6a])	121.7955	0.788	2	121.7955	0.622	2	120.7498	0.781	6	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6,6a]C[6,6a]S[6])(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6,6a]H)(S[5]S[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6,6a]C[6,6a]S[6])(H){1|C<3>,1|N<3>,1|S<2>,2|N<2>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6,6a]H)(S[5]S[5]){1|C<3>,1|C<4>,1|S<2>}	H(C[6a]C[5,6a]C[6,6a])	120.1990	0.035	2	120.2270	0.001	4	120.7498	0.781	6	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6,6a]C[6,6a]S[6])(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6,6a]H)(S[5]S[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6,6a]C[6,6a]S[6])(H){1|N<3>,1|S<2>,3|N<2>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6,6a]H)(S[5]S[5]){1|C<3>,1|C<4>,1|S<2>}	H(C[6a]C[5,6a]C[6,6a])	120.2550	0.000	2	120.2270	0.001	4	120.7498	0.781	6	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a,6a]2)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a,6a]2)(H){1|C<4>,1|N<2>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[6a,6a]C[5,6a])	121.3140	0.000	1	120.9788	0.131	6	120.9527	0.071	11	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a,6a]2)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a,6a]2)(H){1|C<4>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[6a,6a]C[5,6a])	120.9118	0.360	5	120.9788	0.131	6	120.9527	0.071	11	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a,6a]2)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]P[5,6])	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a,6a]C[6a,6a]2)(H){1|O<2>,1|P<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]P[5,6]){1|H<1>,2|C<3>,2|N<2>}	H(C[6a]C[6a,6a]C[5,6a])	120.9214	0.109	5	120.9214	0.012	5	120.9527	0.071	11	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.6200	0.000	1	121.6200	0.000	1	121.5525	0.009	2	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4850	0.000	1	121.4850	0.000	1	121.5525	0.009	2	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]H)(O[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,2|H<1>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	122.0290	0.000	1	122.0290	0.000	1	120.3526	0.807	35	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]H)(O[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.8790	0.000	1	121.8790	0.000	1	120.3526	0.807	35	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7412	0.360	4	121.5027	0.261	7	120.3526	0.807	35	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(O[5]C[5]){1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.5130	0.033	2	121.5027	0.261	7	120.3526	0.807	35	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5280	0.000	1	121.5027	0.261	7	120.3526	0.807	35	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Ga[3x5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(H){1|Ga<6>,1|C<3>,1|H<1>,1|N<3>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Ga[3x5]){1|H<1>,2|N<3>,2|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.6603	0.284	3	119.6603	0.080	3	120.3526	0.807	35	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Ga[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(H){1|Ga<5>,1|C<3>,1|H<1>,1|N<3>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Ga[5,5]){1|H<1>,1|N<3>,2|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.8213	0.230	6	119.7761	0.059	7	120.3526	0.807	35	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Ga[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(H){1|Ga<5>,1|C<3>,1|H<1>,1|N<3>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Ga[5,5]){1|H<1>,1|O<2>,2|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.5050	0.000	1	119.7761	0.059	7	120.3526	0.807	35	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Ge[3x5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(H){1|Ge<6>,1|C<3>,1|H<1>,1|N<3>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Ge[3x5]){1|C<4>,1|H<1>,1|N<3>,2|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2790	0.305	2	120.2790	0.093	2	120.3526	0.807	35	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]In[3x5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(H){1|In<6>,1|C<3>,1|H<1>,1|N<3>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]In[3x5]){1|H<1>,2|N<3>,2|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.4493	0.478	6	119.4493	0.228	6	120.3526	0.807	35	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Nb[3x5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(H){1|Nb<7>,1|C<3>,1|H<1>,1|N<3>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Nb[3x5]){1|H<1>,1|O<1>,2|N<3>,2|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.0225	0.593	2	120.0225	0.352	2	120.3526	0.807	35	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Si[4,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(H){1|Si<6>,1|C<3>,1|H<1>,1|N<3>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Si[4,5]){1|H<1>,2|N<2>,2|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5510	0.139	3	120.4612	0.037	5	120.3526	0.807	35	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Si[4,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(H){1|Si<6>,1|C<3>,1|H<1>,1|N<3>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Si[4,5]){2|Br<1>,1|H<1>,2|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1710	0.000	1	120.4612	0.037	5	120.3526	0.807	35	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Si[4,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(H){1|Si<6>,1|C<3>,1|H<1>,1|N<3>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Si[4,5]){2|Cl<1>,1|H<1>,2|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4820	0.000	1	120.4612	0.037	5	120.3526	0.807	35	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Si[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|H<1>,1|N<3>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Si[5]){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	120.8940	0.000	1	120.8940	0.000	1	120.3526	0.807	35	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:As[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]As[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(As[5]P[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]As[5])(C[6a]C[5,6a]H)(H){1|C<4>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(As[5]P[5]){1|H<1>,2|C<4>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	118.6280	0.352	2	118.6563	0.064	3	118.6563	0.064	3	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:As[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]As[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(As[5]P[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]As[5])(C[6a]C[5,6a]H)(H){1|C<4>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(As[5]P[5]){1|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	118.7130	0.000	1	118.6563	0.064	3	118.6563	0.064	3	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(N[5]S[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(N[5]S[5]){1|B<4>,1|H<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2370	0.751	2	121.2370	0.564	2	121.2370	0.564	2	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(O[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]O[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,1|N<3>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2850	0.208	2	121.2850	0.043	2	121.4647	0.268	7	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]O[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2990	0.346	2	121.2990	0.120	2	121.4647	0.268	7	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(O[5]C[5]){2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3965	0.794	2	121.6950	0.583	3	121.4647	0.268	7	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(O[5]C[5]){1|H<1>,1|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	122.2920	0.000	1	121.6950	0.583	3	121.4647	0.268	7	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:P[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H){1|C<4>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]){1|H<1>,2|C<4>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	118.8050	0.000	1	118.8050	0.000	1	118.8050	0.000	1	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]S[5])(C[6a]C[6,6a]H)(H)	C[5,6a](C[5,6a,6a]C[6,6a,6a]C[5,6a])(C[6a]C[6a]H)(S[5]S[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]S[5])(C[6a]C[6,6a]H)(H){1|S<2>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6,6a,6a]C[5,6a])(C[6a]C[6a]H)(S[5]S[5]){1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5055	0.053	2	120.5055	0.003	2	119.6797	2.047	3	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(S[5]P[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(S[5]P[5]){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	118.0280	0.000	1	118.0280	0.000	1	119.6797	2.047	3	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:Se[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(Se[5]N[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(Se[5]N[5]){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.6450	0.000	1	121.6450	0.000	1	120.2947	0.824	4	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:Se[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(Se[5]Se[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]Se[5])(C[6a]C[6a]H)(H){1|Se<2>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(Se[5]Se[5]){1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.8447	0.141	3	119.8447	0.020	3	120.2947	0.824	4	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:I[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(I[5]C[5,6a])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(I[5]C[5,6a]){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9069	0.812	10	120.9069	0.659	10	120.9185	0.595	11	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:I[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(I[5]N[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<4>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(I[5]N[5]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0350	0.000	1	121.0350	0.000	1	120.9185	0.595	11	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[5,6a]H)(H){1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6950	0.000	1	120.6950	0.000	1	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(N[5]Se[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[5,6a]H)(H){1|Se<2>,1|C<3>,1|N<2>,1|S<2>}	C[5,6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(N[5]Se[5]){1|C<3>,1|H<1>,1|S<2>}	H(C[6a]C[5,6a]C[6a])	119.4803	0.261	3	119.4803	0.068	3	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6,6a]H)(H)	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6a]C[6a]H)(N[5]Se[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6,6a]H)(H){1|Se<2>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6,6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]){1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[5,6a]C[6a])	120.4270	0.000	1	120.4270	0.000	1	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a,6a]H)(H){1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|H<1>,2|C<4>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0740	0.000	1	121.0740	0.000	1	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]S[5])(C[6a]C[6a]H)(N[5]S[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a,6a]H)(H){2|C<3>,2|S<2>}	C[5,6a](C[5,6a]C[6a,6a]S[5])(C[6a]C[6a]H)(N[5]S[5]){1|H<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	117.0985	0.484	2	117.0985	0.235	2	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]Se[5])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a,6a]H)(H){1|Se<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]){1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.8890	0.144	2	119.8890	0.021	2	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]Se[5])(C[6a]C[6a]H)(N[5]Se[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a,6a]H)(H){2|Se<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a,6a]Se[5])(C[6a]C[6a]H)(N[5]Se[5]){1|H<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	120.0110	0.000	1	120.0110	0.000	1	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|Br<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.0710	0.000	1	122.0710	0.000	1	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|N<2>,1|N<3>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	120.9450	0.000	1	117.9360	18.108	2	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	114.9270	0.000	1	117.9360	18.108	2	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Se<2>,1|C<3>,1|H<1>,1|N<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0400	0.000	1	120.0400	0.000	1	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]){1|H<1>,1|S<1>,2|C<3>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	120.4260	0.000	1	120.4260	0.000	1	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){2|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.9390	0.000	1	121.9390	0.000	1	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]S[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(H){1|C<3>,1|F<1>,1|S<2>,1|S<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]S[5]){1|C<3>,1|F<1>,1|H<1>,1|N<2>}	H(C[6a]C[5,6a]C[6a])	121.5250	0.000	1	121.5250	0.000	1	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]B[5,5a]C[6a])(C[6a]C[6a]H)(N[5]N[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]B[5,5a]C[6a])(C[6a]C[6a]H)(N[5]N[5]){2|C<3>,2|H<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	121.2875	0.593	2	121.2875	0.352	2	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[3,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.0680	0.000	1	122.0680	0.000	1	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9060	0.000	1	121.0425	0.037	2	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1790	0.000	1	121.0425	0.037	2	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.1900	0.000	1	121.1900	0.000	1	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2460	0.000	1	120.8922	0.442	4	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.7645	0.250	2	120.8922	0.442	4	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7940	0.000	1	120.8922	0.442	4	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6040	0.000	1	120.6040	0.000	1	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4375	0.019	2	121.4375	0.000	2	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0510	0.000	1	121.2429	0.038	19	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.5040	0.000	1	121.2429	0.038	19	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4543	0.118	3	121.2429	0.038	19	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1853	0.221	3	121.2429	0.038	19	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.9950	0.000	1	121.2429	0.038	19	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3360	0.000	2	121.2429	0.038	19	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2330	0.024	2	121.2429	0.038	19	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2537	0.159	3	121.2429	0.038	19	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3480	0.000	1	121.2429	0.038	19	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.9495	0.046	2	121.2429	0.038	19	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]N[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]N[5]){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.7090	0.000	1	121.6543	0.383	3	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]N[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]N[5]){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	122.2440	0.000	1	121.6543	0.383	3	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]N[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]N[5]){2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0100	0.000	1	121.6543	0.383	3	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H)(N[5]C[5,5a])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H)(N[5]C[5,5a]){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5740	0.000	1	120.5885	0.000	2	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H)(N[5]C[5,5a])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H)(N[5]C[5,5a]){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6030	0.000	1	120.5885	0.000	2	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.6640	0.000	1	121.2230	0.285	3	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5025	0.319	2	121.2230	0.285	3	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.4590	0.000	1	120.9668	0.572	30	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.4230	0.000	1	120.9668	0.572	30	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|Br<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.7055	0.016	2	120.9668	0.572	30	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1283	0.076	3	120.9668	0.572	30	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3950	0.000	1	120.9668	0.572	30	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.3111	0.267	9	120.9668	0.572	30	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1570	0.000	1	120.9668	0.572	30	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1025	0.152	4	120.9668	0.572	30	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1510	0.000	1	120.9668	0.572	30	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.9770	0.000	1	120.9668	0.572	30	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.8980	1.732	2	120.9668	0.572	30	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9260	1.805	2	120.9668	0.572	30	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8440	0.000	1	120.9668	0.572	30	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9430	0.000	1	120.9668	0.572	30	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4770	0.000	1	121.1291	0.071	7	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2110	0.119	2	121.1291	0.071	7	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.2860	0.000	1	121.1291	0.071	7	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0290	0.000	1	121.1291	0.071	7	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0430	0.000	1	121.1291	0.071	7	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6470	0.000	1	121.1291	0.071	7	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5,6a])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5,6a]){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4505	0.040	2	121.1755	0.107	4	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5,6a])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|I<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[5]C[5,6a]){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9005	0.132	2	121.1755	0.107	4	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(N[5]N[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(N[5]N[5]){2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.5940	0.000	1	121.5940	0.000	1	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,2|H<1>,2|N<3>}	H(C[6a]C[5,6a]C[6a])	120.4690	0.000	1	121.1244	0.496	71	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0635	0.245	2	121.1244	0.496	71	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1315	0.173	2	121.1244	0.496	71	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2260	0.000	1	121.1244	0.496	71	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	H(C[6a]C[5,6a]C[6a])	121.3170	0.112	2	121.1244	0.496	71	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,2|H<1>,2|S<2>}	H(C[6a]C[5,6a]C[6a])	121.3820	0.000	1	121.1244	0.496	71	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<6>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9400	0.000	1	121.1244	0.496	71	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|N<3>,1|O<1>,1|P<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8930	0.000	1	121.1244	0.496	71	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3000	0.000	1	121.1244	0.496	71	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0690	0.000	1	121.1244	0.496	71	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.7583	1.125	8	121.1244	0.496	71	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1650	0.000	1	121.1244	0.496	71	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0695	0.046	2	121.1244	0.496	71	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5710	0.000	1	121.1244	0.496	71	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.1500	0.000	1	121.1244	0.496	71	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.5240	0.000	1	121.1244	0.496	71	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1184	0.110	9	121.1244	0.496	71	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1480	0.000	1	121.1244	0.496	71	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4010	0.000	1	121.1244	0.496	71	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.2320	0.263	2	121.1244	0.496	71	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2580	0.000	1	121.1244	0.496	71	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8360	0.000	1	121.1244	0.496	71	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|I<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5070	0.000	1	121.1244	0.496	71	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6860	0.000	1	121.1244	0.496	71	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5123	1.436	7	121.1244	0.496	71	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8170	0.000	1	121.1244	0.496	71	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.6340	0.000	1	121.1244	0.496	71	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|S<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9750	0.000	1	121.1244	0.496	71	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3080	0.119	2	121.1244	0.496	71	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2360	0.114	3	121.1244	0.496	71	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0570	0.000	1	121.1244	0.496	71	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8285	0.905	4	121.1244	0.496	71	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2583	0.267	4	121.1244	0.496	71	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2450	0.000	1	121.1244	0.496	71	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|I<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2750	0.000	1	121.1244	0.496	71	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|O<1>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2860	0.000	1	121.1244	0.496	71	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9320	0.040	2	119.8504	9.548	5	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.1293	4.141	3	119.8504	9.548	5	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]B[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]B[5]){1|Ir<8>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8530	0.000	1	120.8530	0.000	1	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0610	0.000	1	121.0610	0.000	1	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4590	0.000	1	121.6414	5.902	37	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){1|Cu<3>,1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2400	0.000	1	121.6414	5.902	37	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<2>,1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	118.4430	3.731	2	121.6414	5.902	37	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5502	2.012	10	121.6414	5.902	37	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2094	0.241	8	121.6414	5.902	37	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1450	0.380	2	121.6414	5.902	37	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	129.3175	1.890	2	121.6414	5.902	37	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0271	0.881	8	121.6414	5.902	37	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	124.5500	0.000	1	121.6414	5.902	37	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0760	0.000	1	121.6414	5.902	37	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2020	0.000	1	121.6414	5.902	37	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|Al<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7490	0.000	1	121.5555	0.100	41	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|Al<5>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5792	0.179	13	121.5555	0.100	41	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|Cd<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0840	0.000	1	121.5555	0.100	41	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|Co<6>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7240	0.000	1	121.5555	0.100	41	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|Co<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5328	0.158	6	121.5555	0.100	41	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|Cu<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6660	0.243	2	121.5555	0.100	41	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|Ni<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4541	0.513	9	121.5555	0.100	41	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|Pd<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7110	0.000	1	121.5555	0.100	41	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|Re<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6513	0.274	3	121.5555	0.100	41	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|Ru<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.2050	0.000	1	121.5555	0.100	41	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|Ta<7>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7290	0.000	1	121.5555	0.100	41	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,3|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0720	0.000	1	121.5555	0.100	41	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4030	0.000	1	121.5555	0.100	41	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]O[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]O[5]){1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.0090	0.000	1	119.0090	0.000	1	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2000	0.000	1	120.9705	0.105	2	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]){1|Ru<6>,1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7410	0.000	1	120.9705	0.105	2	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|C<4>,1|N<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]){1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5140	0.000	1	120.2868	1.216	24	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|H<1>,1|N<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]){1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6785	0.026	2	120.2868	1.216	24	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]){1|B<4>,1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.8295	1.090	4	120.2868	1.216	24	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3349	1.203	17	120.2868	1.216	24	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1300	0.000	1	120.1300	0.000	1	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]S[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>,1|S<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]S[5]){1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.7450	0.000	1	120.5903	0.233	7	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]S[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]S[5]){1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7312	0.335	6	120.5903	0.233	7	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]Se[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|H<1>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]Se[5]){1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3660	0.000	1	120.3660	0.000	1	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Se<2>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6983	0.233	3	120.6010	0.074	4	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Se<2>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3090	0.000	1	120.6010	0.074	4	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]N[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]N[5]){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8868	0.255	4	120.8868	0.065	4	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]Se[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|Se<2>,1|C<3>,1|H<1>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]Se[5]){1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1650	0.000	1	120.1650	0.000	1	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]N[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]N[5,5]){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8090	0.000	1	121.8090	0.000	1	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Se<2>,1|H<1>,2|N<2>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]){1|C<3>,1|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4415	0.322	4	121.4415	0.104	4	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[6a]P[5])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|P<4>}	C[5,6a](C[5,6a]N[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]){1|Rh<6>,1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4240	0.000	1	121.4240	0.000	1	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]I)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]O[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]O[5]){1|C<3>,1|H<1>,1|I<1>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	121.9165	0.114	2	121.9165	0.013	2	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	121.9190	0.000	1	121.9190	0.000	1	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6760	0.000	1	120.6760	0.000	1	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	119.6590	0.000	1	120.7955	2.583	2	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	121.9320	0.000	1	120.7955	2.583	2	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	121.3910	0.000	1	121.3910	0.000	1	121.0528	1.565	314	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[3,5,6]C[6a])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[3,5,6]C[6a])(H){1|O<2>,2|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	122.1290	0.000	1	122.1290	0.000	1	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6]C[6a])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6]C[6a])(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4340	0.000	1	120.3907	0.629	9	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6]C[6a])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6]C[6a])(H){1|C<3>,1|N<4>,1|O<2>,4|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9060	0.000	1	120.3907	0.629	9	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6]C[6a])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6]C[6a])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0840	0.000	1	120.3907	0.629	9	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6]C[6a])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6]C[6a])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0296	0.766	5	120.3907	0.629	9	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6]C[6a])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6]C[6a])(H){1|O<2>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9440	0.000	1	120.3907	0.629	9	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]H)(H){1|C<3>,1|N<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1810	0.000	1	121.0720	0.024	2	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]H)(H){1|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9630	0.000	1	121.0720	0.024	2	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4135	0.297	4	121.8141	0.111	20	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9260	0.000	1	121.8141	0.111	20	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3850	0.000	1	121.8141	0.111	20	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]H)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ge<3>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8205	0.275	4	121.8141	0.111	20	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]H)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Nb<6>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	122.0166	0.243	8	121.8141	0.111	20	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5,6a]H)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Nb<7>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9515	0.046	2	121.8141	0.111	20	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5a,6a]H)(H)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5a,6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4050	0.000	1	120.4050	0.000	1	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5a]C[6a])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4686	0.074	5	121.4133	0.077	20	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5a]C[6a])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>,1|S<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6130	0.000	1	121.4133	0.077	20	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5a]C[6a])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5a]C[6a])(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2665	0.084	2	121.4133	0.077	20	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5a]C[6a])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5a]C[6a])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3140	0.095	3	121.4133	0.077	20	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5a]C[6a])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5a]C[6a])(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3113	0.220	8	121.4133	0.077	20	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5a]C[6a])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[5a]C[6a])(H){1|C<4>,1|N<2>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	122.3460	0.000	1	121.4133	0.077	20	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6,6]C[6a])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6,6]C[6a])(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5330	0.000	1	121.5330	0.000	1	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6,6a]C)(H)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6,6a]C)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7405	0.060	2	120.7405	0.004	2	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6,6a]H)(H)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6,6a]H)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<2>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6163	0.084	3	121.6163	0.007	3	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6,6a]H)(H)	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6,6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7736	0.112	7	121.6843	0.025	15	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6,6a]H)(H)	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6,6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9300	0.000	1	121.6843	0.025	15	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6,6a]H)(H)	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6,6a]H)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5600	0.087	7	121.6843	0.025	15	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6,6a]Pd)(H)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6,6a]Pd)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|Pd<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5460	0.000	1	120.5460	0.000	1	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]C)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]C)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	119.6160	0.218	2	119.6160	0.047	2	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]C)(H)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]C)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3610	0.000	1	121.3610	0.000	1	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]C[6a])(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]C[6a])(H){2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6790	0.000	1	120.6790	0.000	1	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a,6a])(C[6a]C[6a]H)(O[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a,6a])(C[6a]C[6a]H)(O[5]C[5,6]){2|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.9970	0.000	1	120.9970	0.000	1	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(O[5]C[3x5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(O[5]C[3x5]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1190	0.000	1	121.1190	0.000	1	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(O[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0340	0.000	1	121.1858	0.062	6	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(O[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(O[5]C[5,5]){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3140	0.174	4	121.1858	0.062	6	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(O[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(O[5]C[5,5]){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8250	0.000	1	121.1858	0.062	6	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H){1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	122.0000	0.009	4	121.4385	0.803	6	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H){1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(O[5]C[5]){1|H<1>,1|O<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3155	0.482	2	121.4385	0.803	6	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(O[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(O[5]C[5,6]){2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5280	0.000	1	121.5280	0.000	1	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3480	0.000	1	121.3480	0.000	1	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H){1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4790	0.033	2	121.3764	0.054	15	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H){1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3430	0.000	1	121.3764	0.054	15	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0830	0.000	1	121.3764	0.054	15	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4390	0.244	9	121.3764	0.054	15	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0140	0.000	1	121.3764	0.054	15	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2970	0.000	1	121.3764	0.054	15	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H){1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ir<6>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	122.0955	0.057	2	122.0955	0.003	2	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]H)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8260	0.000	1	121.8260	0.000	1	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]O)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a,6a]O)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.5275	0.091	2	121.5275	0.008	2	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]2)(H){1|Br<1>,1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4280	0.000	1	121.2036	0.261	23	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]2)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2190	0.000	1	121.2036	0.261	23	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|H<1>,2|C<3>,2|F<1>}	H(C[6a]C[5,6a]C[6a])	121.7690	0.000	1	121.2036	0.261	23	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4147	0.262	11	121.2036	0.261	23	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7580	0.000	1	121.2036	0.261	23	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8520	0.000	1	121.2036	0.261	23	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7810	0.327	2	121.2036	0.261	23	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9066	0.758	5	121.2036	0.261	23	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,1|P<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(O[5]C[5]){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	120.4320	0.000	1	120.3725	0.007	2	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3130	0.000	1	120.3725	0.007	2	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Br)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|Br<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5800	0.000	1	122.0153	0.143	3	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	122.2330	0.042	2	122.0153	0.143	3	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Br)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Br<1>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9755	0.061	4	121.9267	0.008	6	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Br)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Br<1>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8290	0.008	2	121.9267	0.008	6	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.0130	0.000	1	121.0130	0.000	1	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.6617	0.102	3	120.6617	0.010	3	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4475	0.269	2	120.6844	0.098	5	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|Cl<1>,1|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|Br<1>,1|C<3>,1|H<1>,1|N<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.6850	0.000	1	120.6844	0.098	5	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|Cl<1>,1|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7040	0.000	1	120.6844	0.098	5	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|Cl<1>,1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|O<1>,2|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.1380	0.000	1	120.6844	0.098	5	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.0130	0.000	1	121.0130	0.000	1	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9890	0.000	1	121.1085	0.059	4	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	121.3570	0.000	1	121.1085	0.059	4	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0440	0.303	2	121.1085	0.059	4	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|N<3>,1|O<2>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	121.7730	0.000	1	121.7730	0.000	1	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2860	0.000	1	121.2924	0.262	226	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4280	0.000	1	121.2924	0.262	226	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|F<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0030	0.000	1	121.2924	0.262	226	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|F<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8350	0.000	1	121.2924	0.262	226	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	121.6083	0.101	3	121.2924	0.262	226	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|H<1>,2|F<1>}	H(C[6a]C[5,6a]C[6a])	122.0460	0.000	1	121.2924	0.262	226	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3872	0.320	46	121.2924	0.262	226	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6795	0.120	4	121.2924	0.262	226	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3614	0.464	100	121.2924	0.262	226	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|I<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1070	0.000	1	121.2924	0.262	226	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6935	0.080	2	121.2924	0.262	226	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7077	0.200	16	121.2924	0.262	226	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0368	0.297	9	121.2924	0.262	226	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2883	0.289	4	121.2924	0.262	226	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3160	0.000	1	121.2924	0.262	226	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9988	0.330	9	121.2924	0.262	226	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9780	1.258	5	121.2924	0.262	226	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3096	0.217	8	121.2924	0.262	226	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4267	0.925	8	121.2924	0.262	226	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6855	1.421	4	121.2924	0.262	226	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<2>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8530	0.000	1	121.2924	0.262	226	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]Ga[3x5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|Ga<6>,1|C<3>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]Ga[3x5]){1|C<3>,2|C<4>,4|O<2>}	H(C[6a]C[5,6a]C[6a])	119.8945	0.144	6	119.8945	0.021	6	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]Ge[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|Ge<5>,1|C<3>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]Ge[5]){2|Cl<1>,2|C<3>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	120.0970	0.000	1	120.0970	0.000	1	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|H<1>,1|P<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	121.1105	0.083	2	121.1105	0.007	2	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[3])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[3])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3470	0.000	1	121.1345	0.090	2	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[3])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[3])(H){1|O<2>,2|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9220	0.000	1	121.1345	0.090	2	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7970	0.000	1	121.4547	0.144	51	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|S<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1410	0.000	1	121.4547	0.144	51	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0605	0.347	4	121.4547	0.144	51	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4547	0.347	7	121.4547	0.144	51	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7445	0.896	4	121.4547	0.144	51	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5648	0.220	20	121.4547	0.144	51	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7410	0.000	1	121.4547	0.144	51	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7590	0.000	1	121.4547	0.144	51	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2965	0.036	2	121.4547	0.144	51	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5900	0.000	1	121.4547	0.144	51	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2750	0.000	1	121.4547	0.144	51	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8980	0.000	1	121.4547	0.144	51	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0720	0.000	1	121.4547	0.144	51	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6990	0.000	1	121.4547	0.144	51	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4100	0.000	1	121.4547	0.144	51	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3727	0.266	3	121.4547	0.144	51	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[5])(H){1|Se<2>,1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3980	0.000	1	121.4547	0.144	51	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|Br<1>,1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8210	0.037	2	121.5775	0.592	49	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|Br<1>,1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7540	0.000	1	121.5775	0.592	49	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|Br<1>,1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0580	0.000	1	121.5775	0.592	49	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	124.0910	0.000	1	121.5775	0.592	49	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7140	0.000	1	121.5775	0.592	49	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|S<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4935	0.172	2	121.5775	0.592	49	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7480	0.000	1	121.5775	0.592	49	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3484	0.208	7	121.5775	0.592	49	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5350	0.219	5	121.5775	0.592	49	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6840	0.000	1	121.5775	0.592	49	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	123.9860	0.000	1	121.5775	0.592	49	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9884	1.256	5	121.5775	0.592	49	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1947	0.207	7	121.5775	0.592	49	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2655	0.016	2	121.5775	0.592	49	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3600	0.000	1	121.5775	0.592	49	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|Ir<8>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	122.1110	0.000	1	121.5775	0.592	49	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5950	0.000	1	121.5775	0.592	49	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3164	0.142	7	121.5775	0.592	49	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	123.4740	0.000	1	121.5775	0.592	49	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C[6])(H){1|Se<2>,1|C<3>,1|C<4>,1|O<2>,1|P<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9280	0.000	1	121.5775	0.592	49	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|I<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|Cl<1>,1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.7430	0.000	1	121.7430	0.000	1	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Cl)(H){1|C<2>,1|C<3>,1|C<4>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Cl<1>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	122.0730	0.000	1	122.0730	0.000	1	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]F)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	122.2070	0.000	1	122.2070	0.000	1	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]F)(H){1|C<3>,1|F<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|Br<1>,1|C<3>,1|C<4>,1|F<1>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.5050	0.000	1	122.5050	0.000	1	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]F)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|F<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	122.9740	0.000	1	122.6780	0.175	2	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]F)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|F<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	122.3820	0.000	1	122.6780	0.175	2	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(O[5]C[3,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(O[5]C[3,5]){1|C<3>,1|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5980	0.000	1	121.5980	0.000	1	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(O[5]C[3x5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(O[5]C[3x5]){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6310	0.000	2	121.6310	0.000	2	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2575	0.053	2	121.2575	0.003	2	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(O[5]P[3x5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|P<5>,2|C<4>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(O[5]P[3x5]){2|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0970	0.139	6	121.0970	0.019	6	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(O[5]Si[3x5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Si<5>,1|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(O[5]Si[3x5]){1|O<3>,2|H<1>,2|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8887	1.660	3	120.8887	2.755	3	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(O[5]C[4,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(O[5]C[4,5]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4390	0.000	1	121.4390	0.000	1	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[3,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[3,5]){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	121.3905	0.080	2	121.3905	0.006	2	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0340	0.000	1	121.4315	0.143	28	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2590	0.000	1	121.4315	0.143	28	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5050	0.000	1	121.4315	0.143	28	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5050	0.000	1	121.4315	0.143	28	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8830	0.000	1	121.4315	0.143	28	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7710	0.000	1	121.4315	0.143	28	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5505	0.005	2	121.4315	0.143	28	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5440	0.000	1	121.4315	0.143	28	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	H(C[6a]C[5,6a]C[6a])	121.4040	0.044	2	121.4315	0.143	28	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1880	0.000	1	121.4315	0.143	28	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9270	0.000	1	121.4315	0.143	28	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.7030	0.000	1	121.4315	0.143	28	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.6520	0.038	2	121.4315	0.143	28	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|O<2>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0755	0.276	2	121.4315	0.143	28	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2300	0.000	1	121.4315	0.143	28	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1410	0.000	1	121.4315	0.143	28	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1140	0.000	1	121.4315	0.143	28	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	122.4540	0.000	1	121.4315	0.143	28	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8950	0.000	1	121.4315	0.143	28	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9490	0.000	1	121.4315	0.143	28	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3160	0.000	1	121.4315	0.143	28	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6940	0.000	1	121.4315	0.143	28	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3950	0.000	1	121.4315	0.143	28	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	122.2110	0.000	1	121.4315	0.143	28	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6180	0.000	1	121.7385	0.058	8	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7700	0.160	2	121.7385	0.058	8	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5]){1|N<2>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6270	0.000	1	121.7385	0.058	8	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.2580	0.000	1	121.7385	0.058	8	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5050	0.000	1	121.7385	0.058	8	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7800	0.000	1	121.7385	0.058	8	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5]){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5800	0.000	1	121.7385	0.058	8	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]P[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<5>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]P[5,5]){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5780	0.982	3	120.5780	0.964	3	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.5090	0.000	1	121.5090	0.000	1	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3950	0.000	1	121.0918	0.580	20	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7725	1.266	2	121.0918	0.580	20	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4920	0.000	1	121.0918	0.580	20	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4580	0.000	1	121.0918	0.580	20	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<4>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	119.2840	0.208	2	121.0918	0.580	20	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>,2|N<3>}	H(C[6a]C[5,6a]C[6a])	121.5330	0.000	1	121.0918	0.580	20	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8300	0.000	1	121.0918	0.580	20	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5310	0.000	1	121.0918	0.580	20	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8860	0.000	1	121.0918	0.580	20	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4830	0.000	1	121.0918	0.580	20	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3300	0.000	1	121.0918	0.580	20	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0890	0.000	1	121.0918	0.580	20	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3760	0.000	1	121.0918	0.580	20	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.7690	0.000	1	121.0918	0.580	20	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3875	0.465	4	121.0918	0.580	20	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5205	0.062	2	121.7674	0.110	10	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6690	0.000	1	121.7674	0.110	10	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8520	0.366	7	121.7674	0.110	10	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]B[5,6a])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]B[5,6a]){1|C<3>,1|N<4>,2|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9700	0.000	1	120.9700	0.000	1	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[4,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[4,5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5930	0.000	1	121.6240	0.002	2	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[4,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[4,5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6550	0.000	1	121.6240	0.002	2	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6020	0.000	1	121.7331	0.119	37	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	122.8230	0.000	1	121.7331	0.119	37	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6890	0.000	1	121.7331	0.119	37	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7180	0.000	1	121.7331	0.119	37	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	122.3510	0.000	1	121.7331	0.119	37	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4390	0.000	1	121.7331	0.119	37	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4275	0.404	2	121.7331	0.119	37	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6778	0.109	4	121.7331	0.119	37	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.8400	0.000	1	121.7331	0.119	37	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){2|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.2770	0.000	1	121.7331	0.119	37	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5215	0.199	2	121.7331	0.119	37	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4550	0.000	1	121.7331	0.119	37	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5185	0.008	2	121.7331	0.119	37	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6085	0.146	2	121.7331	0.119	37	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8310	0.120	6	121.7331	0.119	37	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.0462	0.459	5	121.7331	0.119	37	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.7360	0.000	1	121.7331	0.119	37	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5790	0.000	1	121.7331	0.119	37	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4655	0.105	2	121.7331	0.119	37	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.6050	0.000	1	121.7331	0.119	37	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7940	0.000	1	121.8101	0.564	29	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6395	0.235	2	121.8101	0.564	29	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6745	0.290	6	121.8101	0.564	29	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<4>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2840	0.000	1	121.8101	0.564	29	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|N<3>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	123.5435	2.354	2	121.8101	0.564	29	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0670	0.195	2	121.8101	0.564	29	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	122.1750	0.000	1	121.8101	0.564	29	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8460	0.331	8	121.8101	0.564	29	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|O<1>,2|H<1>,2|S<2>}	H(C[6a]C[5,6a]C[6a])	122.0510	0.000	1	121.8101	0.564	29	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4710	0.000	1	121.8101	0.564	29	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8510	0.145	4	121.8101	0.564	29	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1480	0.000	1	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|N<3>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0178	0.283	4	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6480	0.000	1	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3710	0.081	3	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2700	0.000	1	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3440	0.000	1	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4980	0.000	1	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Br<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3990	0.000	2	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2712	0.084	4	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7940	0.000	1	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<2>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9180	0.000	1	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2880	0.000	1	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6540	0.048	2	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5082	0.266	12	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7035	0.232	4	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|Cl<1>,1|C<3>,1|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7720	0.000	1	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|Cl<1>,1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0085	0.892	2	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|N<3>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3870	0.000	1	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7160	0.000	1	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<2>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6390	0.298	2	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7320	0.000	1	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4820	0.097	4	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.7340	0.000	1	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4510	0.287	2	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2680	0.000	1	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9520	0.000	1	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1240	0.000	1	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3750	0.000	1	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0660	0.000	1	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1800	0.000	1	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<2>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5280	0.000	1	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1830	0.000	1	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3010	0.000	1	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3484	0.469	5	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|N<3>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4440	0.000	1	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9250	0.000	1	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5090	0.000	1	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8090	0.000	1	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.1760	0.000	2	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8660	0.000	1	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6610	0.000	1	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8641	0.230	10	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7484	0.605	9	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	122.3140	0.049	2	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6130	0.000	1	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6260	0.000	1	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.6080	0.000	1	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9410	0.000	1	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	122.2140	0.000	1	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	122.0500	0.000	1	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4050	0.189	5	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.8500	0.355	6	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<1>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6560	0.000	1	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7553	0.095	3	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2770	0.000	1	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	127.2730	0.000	1	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5800	0.048	2	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6577	0.253	4	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5605	0.221	2	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Cl<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5920	0.533	2	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|F<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7340	0.000	1	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7771	0.236	15	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6087	0.224	3	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2880	0.000	1	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2160	0.734	3	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5597	0.160	4	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6723	0.126	4	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8140	0.000	1	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6880	0.117	2	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6260	0.000	1	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3670	0.000	1	121.6263	0.321	166	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]N[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]N[5]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7160	0.000	1	121.7160	0.000	1	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.7827	0.053	3	122.4152	0.359	124	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2630	0.000	1	122.4152	0.359	124	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7820	0.000	1	122.4152	0.359	124	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2690	0.000	1	122.4152	0.359	124	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Co<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.5580	0.000	1	122.4152	0.359	124	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Cr<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.2320	0.000	1	122.4152	0.359	124	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ir<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.2855	0.265	4	122.4152	0.359	124	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ir<8>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.2785	0.066	2	122.4152	0.359	124	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ni<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.3480	0.000	1	122.4152	0.359	124	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.9090	0.000	1	122.4152	0.359	124	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8987	0.138	3	122.4152	0.359	124	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Al<4>,1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	122.4015	0.132	2	122.4152	0.359	124	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Al<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.3197	0.215	4	122.4152	0.359	124	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Al<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.3430	0.093	2	122.4152	0.359	124	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Be<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.1270	0.324	2	122.4152	0.359	124	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|S<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	123.0500	0.000	1	122.4152	0.359	124	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|S<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	122.3370	0.000	1	122.4152	0.359	124	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.2800	0.000	1	122.4152	0.359	124	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Co<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.5120	0.072	2	122.4152	0.359	124	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Co<6>,1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.9150	0.000	1	122.4152	0.359	124	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Cu<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.3060	0.174	6	122.4152	0.359	124	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ir<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.3560	0.116	2	122.4152	0.359	124	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ir<5>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.6325	0.520	2	122.4152	0.359	124	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ir<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.3076	0.351	14	122.4152	0.359	124	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ir<7>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.4198	0.445	5	122.4152	0.359	124	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Li<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.0440	0.117	2	122.4152	0.359	124	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Mg<4>,1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	122.4834	0.037	11	122.4152	0.359	124	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Mn<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.9035	0.200	2	122.4152	0.359	124	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ni<5>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.4403	0.233	3	122.4152	0.359	124	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ni<6>,1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.9960	0.000	1	122.4152	0.359	124	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ni<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.5230	0.147	2	122.4152	0.359	124	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Os<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.5499	0.141	7	122.4152	0.359	124	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.2540	0.000	1	122.4152	0.359	124	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Pd<4>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	122.6010	0.000	1	122.4152	0.359	124	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Pd<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.2020	0.000	1	122.4152	0.359	124	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Pt<4>,1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.4000	0.296	6	122.4152	0.359	124	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Pt<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.2690	0.000	1	122.4152	0.359	124	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Pt<5>,1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.8840	0.000	1	122.4152	0.359	124	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Re<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.8610	0.000	1	122.4152	0.359	124	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Re<6>,1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	123.1470	0.000	1	122.4152	0.359	124	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Re<6>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	122.1840	0.000	1	122.4152	0.359	124	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Re<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.4180	0.010	2	122.4152	0.359	124	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ru<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	123.1632	2.619	5	122.4152	0.359	124	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ru<9>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.4235	0.282	2	122.4152	0.359	124	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Zn<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.6100	0.306	5	122.4152	0.359	124	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Zn<4>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	122.4387	0.160	4	122.4152	0.359	124	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]P[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|P<5>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]P[5]){1|P<3>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1520	0.000	1	121.1520	0.000	1	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]Si[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]Si[5]){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4560	0.000	1	120.4620	0.000	2	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]Si[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]Si[5]){2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4680	0.000	1	120.4620	0.000	2	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]B[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]B[5,5]){1|Li<4>,1|C<3>,1|O<2>,1|O<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.6315	0.938	2	119.6315	0.880	2	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]B[5,5a])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]B[5,5a]){1|Li<4>,1|C<3>,2|H<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	121.3670	0.000	1	121.1515	0.093	2	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]B[5,5a])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]B[5,5a]){1|Ni<4>,1|C<3>,2|H<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	120.9360	0.000	1	121.1515	0.093	2	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]B[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|O<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]B[5]){1|Zr<6>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9960	0.000	1	121.4715	0.550	2	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]B[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|B<5>,1|C<3>,1|H<1>,1|O<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]B[5]){1|Ru<7>,1|C<3>,1|C<4>,1|H<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9470	0.000	1	121.4715	0.550	2	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,2|H<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	122.1095	0.215	8	122.1050	0.041	9	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5,5]){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	122.0690	0.000	1	122.1050	0.041	9	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9650	0.261	4	122.0310	0.043	8	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,2|H<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	122.0095	0.168	2	122.0310	0.043	8	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5,6]){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	122.1845	0.049	2	122.0310	0.043	8	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5443	0.131	4	121.6551	0.278	362	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	121.6590	0.000	1	121.6551	0.278	362	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,2|H<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	122.0843	0.179	6	121.6551	0.278	362	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|H<1>,2|C<3>,2|F<1>}	H(C[6a]C[5,6a]C[6a])	122.6190	0.000	1	121.6551	0.278	362	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4767	2.005	3	121.6551	0.278	362	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.9077	0.137	4	121.6551	0.278	362	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9160	0.000	1	121.6551	0.278	362	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	122.1920	0.000	1	121.6551	0.278	362	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8338	0.832	12	121.6551	0.278	362	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,1|P<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|H<1>,2|C<3>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	121.5480	0.000	1	121.6551	0.278	362	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,1|P<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9135	0.037	2	121.6551	0.278	362	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,1|P<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7980	0.000	1	121.6551	0.278	362	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,1|P<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6714	0.478	19	121.6551	0.278	362	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5102	0.342	11	121.6551	0.278	362	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7640	0.000	1	121.6551	0.278	362	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6890	0.634	3	121.6551	0.278	362	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9370	0.386	3	121.6551	0.278	362	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,2|F<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.6100	0.000	1	121.6551	0.278	362	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6441	0.302	132	121.6551	0.278	362	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Sn<3>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7570	0.000	1	121.6551	0.278	362	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7940	0.000	1	121.6551	0.278	362	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Al<4>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8610	0.000	1	121.6551	0.278	362	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|P<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	122.0780	0.000	1	121.6551	0.278	362	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,2|F<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7400	0.000	1	121.6551	0.278	362	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5961	0.639	136	121.6551	0.278	362	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Cu<3>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	122.0210	0.000	1	121.6551	0.278	362	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ir<8>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	122.1060	0.000	1	121.6551	0.278	362	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Sn<3>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	122.0680	0.000	1	121.6551	0.278	362	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Zn<4>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	122.0267	0.042	4	121.6551	0.278	362	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Cu<3>,1|Li<3>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9170	0.000	1	121.6551	0.278	362	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|C<4>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5710	0.000	1	121.6551	0.278	362	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8212	0.100	5	121.6551	0.278	362	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]Ga[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Ga<6>,1|C<3>,1|H<1>,1|O<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]Ga[5,5]){1|Cl<1>,1|Pd<5>,1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|O<3>}	H(C[6a]C[5,6a]C[6a])	120.1060	0.000	1	120.1060	0.000	1	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]Nb[3x5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Nb<7>,1|C<3>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]Nb[3x5]){1|C<3>,1|N<3>,2|H<1>,4|O<2>}	H(C[6a]C[5,6a]C[6a])	120.7163	0.172	6	120.7163	0.029	6	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]P[3x5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,1|P<6>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]P[3x5]){1|C<3>,2|H<1>,4|O<2>}	H(C[6a]C[5,6a]C[6a])	121.2127	0.199	28	121.2127	0.040	28	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]P[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,1|P<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]P[5,6]){1|C<3>,2|H<1>,2|N<2>}	H(C[6a]C[5,6a]C[6a])	119.8790	1.188	2	119.8790	1.411	2	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]P[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,1|P<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]P[5]){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8355	0.095	2	121.7890	0.083	6	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]P[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,1|P<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]P[5]){1|C<3>,2|H<1>,2|S<1>}	H(C[6a]C[5,6a]C[6a])	121.6365	0.575	2	121.7890	0.083	6	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]P[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,1|P<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]P[5]){1|Mo<6>,1|C<3>,1|F<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8950	0.047	2	121.7890	0.083	6	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]Si[3x5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Si<6>,1|C<3>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]Si[3x5]){1|C<3>,2|H<1>,4|O<2>}	H(C[6a]C[5,6a]C[6a])	120.7502	0.145	4	120.7502	0.021	4	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]Si[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]Si[5]){1|Ni<5>,1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0060	0.027	2	121.0060	0.001	2	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|P<4>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2860	0.000	1	120.9686	0.057	9	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|P<4>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1240	0.062	2	120.9686	0.057	9	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|P<4>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(O[5]C[5]){1|Cu<4>,1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9230	0.286	3	120.9686	0.057	9	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|P<4>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(O[5]C[5]){1|Pd<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6420	0.000	1	120.9686	0.057	9	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|P<4>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(O[5]C[5]){1|Rh<5>,1|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8860	0.123	2	120.9686	0.057	9	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4270	0.000	1	121.4270	0.000	1	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|Ga<5>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.5455	0.025	2	122.5455	0.001	2	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(O[5]Si[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Si<5>,1|C<3>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(O[5]Si[5,5]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6245	0.101	2	120.6907	0.018	3	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(O[5]Si[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Si<5>,1|C<3>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(O[5]Si[5,5]){1|N<3>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8230	0.000	1	120.6907	0.018	3	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[6a]C[6a]H)(O[5]C[5,5a])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[6a]C[6a]H)(O[5]C[5,5a]){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.1160	0.000	1	122.1160	0.000	1	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|B<4>,1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	123.1930	0.000	1	122.4652	0.156	34	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|B<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.4844	0.347	18	122.4652	0.156	34	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.6960	0.753	4	122.4652	0.156	34	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	122.3560	0.293	2	122.4652	0.156	34	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|Ga<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.1874	0.138	5	122.4652	0.156	34	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.3513	0.132	3	122.4652	0.156	34	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	122.4170	0.000	1	122.4652	0.156	34	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]Si[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Si<5>,1|C<3>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]Si[5,6]){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8515	0.036	2	120.7218	0.024	4	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]Si[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Si<5>,1|C<3>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]Si[5,6]){1|Si<4>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5480	0.000	1	120.7218	0.024	4	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]Si[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Si<6>,1|C<3>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]Si[5,6]){1|O<2>,2|H<1>,2|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6360	0.000	1	120.7218	0.024	4	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]I)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]I)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|I<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8180	0.000	1	121.8180	0.000	1	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Ir)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Ir)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ir<6>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3495	1.520	2	121.2207	1.204	3	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Ir)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Ir)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ir<8>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9630	0.000	1	121.2207	1.204	3	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	122.8900	0.000	1	122.8900	0.000	1	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|N<3>,1|S<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	123.0380	0.000	1	123.0380	0.000	1	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|N<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8790	0.000	1	121.7250	0.769	25	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9498	0.604	5	121.7250	0.769	25	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	125.0500	0.000	1	121.7250	0.769	25	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	122.0875	0.325	2	121.7250	0.769	25	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3919	0.485	16	121.7250	0.769	25	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N[5])(H){1|Ir<6>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	122.9740	0.358	2	122.9740	0.128	2	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N[6])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9420	0.247	5	121.9239	0.043	7	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N[6])(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8785	0.091	2	121.9239	0.043	7	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2730	0.000	1	122.0718	0.224	15	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	H(C[6a]C[5,6a]C[6a])	122.3190	0.000	1	122.0718	0.224	15	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|H<1>,2|O<2>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2010	0.000	1	122.0718	0.224	15	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|H<1>,3|C<3>,3|O<2>}	H(C[6a]C[5,6a]C[6a])	121.9230	0.000	1	122.0718	0.224	15	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){2|C<3>,2|C<4>,3|O<2>}	H(C[6a]C[5,6a]C[6a])	122.3552	0.349	5	122.0718	0.224	15	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){3|O<2>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	122.0680	0.000	2	122.0718	0.224	15	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,2|C<3>,3|O<2>}	H(C[6a]C[5,6a]C[6a])	121.4750	0.000	1	122.0718	0.224	15	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|C<4>,2|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	122.3247	0.330	3	122.0718	0.224	15	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5880	0.000	1	121.6893	0.016	6	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5110	0.000	1	121.6893	0.016	6	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	121.8245	0.033	2	121.6893	0.016	6	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6940	0.048	2	121.6893	0.016	6	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	122.2345	0.426	4	121.9930	0.402	16	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8050	0.000	1	121.9930	0.402	16	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	122.1750	0.000	1	121.9930	0.402	16	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8260	0.000	1	121.9930	0.402	16	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	122.1580	0.000	1	121.9930	0.402	16	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	122.3570	0.000	1	121.9930	0.402	16	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	122.3090	0.000	1	121.9930	0.402	16	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.2410	0.000	1	121.9930	0.402	16	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	122.4110	0.112	2	121.9930	0.402	16	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|H<1>,1|O<2>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4630	0.000	1	121.9930	0.402	16	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8970	1.336	2	121.9930	0.402	16	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9367	0.329	12	121.8842	0.111	26	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8553	0.356	10	121.8842	0.111	26	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7987	0.350	4	121.8842	0.111	26	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	122.9200	0.000	1	122.9200	0.000	1	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O[6a])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]O[6a])(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	121.6480	0.000	1	121.6480	0.000	1	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]P)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]P)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|P<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	122.1070	0.000	1	122.1070	0.000	1	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]S)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|O<2>,1|S<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|S<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3560	0.112	4	121.3560	0.012	4	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Se)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Se)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Se<2>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2070	0.000	1	121.2070	0.000	1	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Si)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Si)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Si<4>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1073	0.114	3	121.1073	0.013	3	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Si[6])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]Si[6])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]C[5]){1|Si<4>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1300	0.082	2	121.1300	0.007	2	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]O[6a]C)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]O[6a]C)(H){1|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.4900	0.000	1	122.0753	0.140	3	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]O[6a]C)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]O[6a]C)(H){1|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	121.8680	0.146	2	122.0753	0.140	3	121.6054	0.441	1564	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(P[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a,6a]H)(H){1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(P[5]C[5]){1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2670	0.000	1	120.2670	0.000	1	119.6955	0.278	13	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5]){1|C<3>,1|C<4>,1|P<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2400	0.000	1	120.1240	0.022	6	119.6955	0.278	13	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9700	0.018	2	120.1240	0.022	6	119.6955	0.278	13	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1880	0.133	3	120.1240	0.022	6	119.6955	0.278	13	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]As[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|As<2>,1|C<3>,1|H<1>,1|P<2>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]As[5]){1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	118.9625	0.047	2	118.9625	0.002	2	119.6955	0.278	13	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]P[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|P<2>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]P[5]){1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.2763	0.069	4	119.2763	0.005	4	119.6955	0.278	13	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[5a,6a]C)(H)	C[5,6a](C[5,6a]C[5a,6a]N[5])(C[6a]C[6a]H)(S[5]S[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[5a,6a]C)(H){1|C<3>,1|S<2>,2|N<2>}	C[5,6a](C[5,6a]C[5a,6a]N[5])(C[6a]C[6a]H)(S[5]S[5]){1|C<3>,1|C<4>,1|S<2>}	H(C[6a]C[5,6a]C[6a])	118.9800	0.000	1	118.9800	0.000	1	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a,6a]H)(H){1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Zn<4>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1640	0.000	1	121.0550	0.024	2	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a,6a]H)(H){1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9460	0.000	1	121.0550	0.024	2	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]S[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a,6a]H)(H){1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]S[5])(C[6a]C[6a]H)(S[5]C[5]){1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	117.7590	0.000	1	117.7590	0.000	1	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|B<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4908	0.211	6	120.4908	0.045	6	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|Br<1>,1|B<4>,1|C<3>,1|H<1>,1|N<2>}	H(C[6a]C[5,6a]C[6a])	121.7260	0.000	1	121.7260	0.000	1	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3080	0.000	1	120.4828	0.086	4	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|H<1>,2|C<3>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	120.3530	0.062	2	120.4828	0.086	4	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Ir<6>,1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9170	0.000	1	120.4828	0.086	4	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(S[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(S[5]C[5,6]){2|C<4>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.0665	0.418	2	120.0665	0.175	2	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H){1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<2>,1|H<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8785	0.053	2	120.3127	0.447	4	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H){1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	119.7470	0.238	2	120.3127	0.447	4	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5]){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3040	0.000	1	120.3040	0.000	1	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|P<2>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5]){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[5,6a]C[6a])	119.7770	0.000	1	119.9028	0.092	5	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|P<3>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5]){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[5,6a]C[6a])	119.7560	0.000	1	119.9028	0.092	5	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|P<3>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5]){1|C<3>,1|C<4>,1|H<1>,1|I<1>}	H(C[6a]C[5,6a]C[6a])	119.6790	0.000	1	119.9028	0.092	5	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|P<3>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5]){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6a]C[5,6a]C[6a])	120.4310	0.000	1	119.9028	0.092	5	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|P<3>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5]){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[5,6a]C[6a])	119.8710	0.000	1	119.9028	0.092	5	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[6a]C[5,6a]C[6a])	120.7995	0.779	2	120.4077	0.452	4	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	119.7550	0.000	1	120.4077	0.452	4	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2770	0.000	1	120.4077	0.452	4	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]Cl)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.7965	0.015	2	121.5945	0.059	4	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]Cl)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]){2|Cl<1>,1|O<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3925	0.120	2	121.5945	0.059	4	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Cl<1>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2240	0.000	1	121.3342	0.028	4	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Cl<1>,1|Ir<8>,1|C<3>,1|H<1>,1|N<2>}	H(C[6a]C[5,6a]C[6a])	121.1930	0.000	1	121.3342	0.028	4	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Cl<1>,1|Pd<4>,1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[5,6a]C[6a])	121.4600	0.143	2	121.3342	0.028	4	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|Cl<1>,1|B<4>,1|C<3>,1|H<1>,1|N<2>}	H(C[6a]C[5,6a]C[6a])	121.8210	0.000	1	121.4160	0.123	3	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[6a]C[5,6a]C[6a])	121.2135	0.030	2	121.4160	0.123	3	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|S<1>}	H(C[6a]C[5,6a]C[6a])	122.4460	0.000	1	122.4460	0.000	1	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]S[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]F)(H){1|C<3>,1|F<1>,1|N<2>,1|S<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]S[5]){1|C<3>,1|F<1>,1|H<1>,1|N<2>}	H(C[6a]C[5,6a]C[6a])	123.0820	0.000	1	123.0820	0.000	1	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|B<4>,1|C<3>,1|F<1>,1|H<1>,1|N<2>}	H(C[6a]C[5,6a]C[6a])	122.6630	0.000	1	122.6630	0.000	1	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(S[5]C[4,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(S[5]C[4,5]){2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6360	0.000	1	120.6360	0.000	1	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5]){1|Br<1>,1|S<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5960	0.000	1	120.5975	0.013	10	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6730	0.000	1	120.5975	0.013	10	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4440	0.000	1	120.5975	0.013	10	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5]){1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6334	0.100	5	120.5975	0.013	10	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4190	0.000	1	120.5975	0.013	10	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5]){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6760	0.000	1	120.5975	0.013	10	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7580	0.044	2	120.7580	0.002	2	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5,5]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9523	0.089	3	120.9511	0.011	11	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5,5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9190	0.147	4	120.9511	0.011	11	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5,5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9260	0.068	2	120.9511	0.011	11	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5,5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0385	0.037	2	120.9511	0.011	11	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5,6]){1|N<3>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9760	0.000	1	121.1195	0.041	2	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5,6]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2630	0.000	1	121.1195	0.041	2	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	122.6590	0.000	1	120.9620	0.181	20	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]){2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6160	0.000	1	120.9620	0.181	20	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]){1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7440	0.000	1	120.9620	0.181	20	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0920	0.000	1	120.9620	0.181	20	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7540	0.120	3	120.9620	0.181	20	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8830	0.000	1	120.9620	0.181	20	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8650	0.000	1	120.9620	0.181	20	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9199	0.133	11	120.9620	0.181	20	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	122.3450	0.000	1	121.8180	0.225	3	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]){1|S<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6850	0.000	1	121.8180	0.225	3	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]){1|Zn<5>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4240	0.000	1	121.8180	0.225	3	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]S[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]S[5]){1|C<3>,1|S<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5265	0.483	2	120.5265	0.233	2	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5,5]){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5810	0.000	1	120.5390	0.002	3	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5,5]){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5180	0.044	2	120.5390	0.002	3	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5,6]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8440	0.119	2	120.4525	0.238	4	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5,6]){1|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0610	0.294	2	120.4525	0.238	4	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.0800	0.000	1	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|B<3>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1160	0.424	2	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3710	0.000	1	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|La<14>,1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1587	0.535	3	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Ru<8>,1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1420	0.000	1	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|S<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9620	0.000	1	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Ta<11>,1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1120	0.000	1	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|U<14>,1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7967	0.212	3	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|U<16>,1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9140	0.246	2	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Yb<14>,1|C<3>,1|O<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1470	0.000	1	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6750	0.000	1	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5880	0.000	1	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9150	0.000	1	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Ir<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2045	0.078	2	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Rh<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8080	0.109	2	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Al<4>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[6a]C[5,6a]C[6a])	121.1375	0.155	2	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Al<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1163	0.132	7	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Al<5>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1375	0.194	4	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|B<3>,1|C<3>,1|S<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0040	0.611	2	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|B<3>,1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7159	0.488	10	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|B<4>,1|C<3>,1|S<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0680	0.000	1	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|B<4>,1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8620	0.622	8	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|B<5>,1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0655	0.289	11	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Be<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0990	0.273	2	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Bi<5>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2797	0.301	6	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3140	0.000	1	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0059	0.254	8	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9224	0.577	5	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0645	0.246	4	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2645	0.218	6	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|N<2>,1|S<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6950	0.290	2	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|N<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0890	0.000	1	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|N<3>,1|S<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8960	0.000	1	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6375	1.128	25	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|P<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2090	0.000	1	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|P<4>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9550	0.011	2	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|S<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7690	0.000	1	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|S<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4150	0.219	4	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1870	0.000	1	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4858	0.219	5	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8796	0.925	49	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Co<4>,1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7450	0.175	2	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Co<4>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3750	0.000	1	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Co<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0925	0.009	2	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Cu<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2170	0.000	1	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Cu<3>,1|C<3>,1|S<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2567	0.389	3	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Cu<4>,1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7515	0.672	2	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Cu<4>,1|C<3>,1|P<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1165	0.115	2	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Cu<4>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2490	0.222	2	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Cu<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3234	0.217	5	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Cu<5>,1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4460	0.000	1	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Cu<5>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0390	0.000	1	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Cu<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9830	0.000	1	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Fe<4>,1|C<3>,1|P<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9540	0.109	8	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Fe<4>,1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6540	0.000	1	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Fe<5>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9430	0.000	1	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Ir<6>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3780	0.000	1	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Ir<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8831	0.475	89	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Ir<7>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9650	0.239	4	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Ir<8>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9000	0.617	2	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Mn<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1715	0.207	2	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Mo<9>,1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2803	0.037	3	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9350	0.000	1	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Ni<4>,1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7252	0.441	11	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Ni<5>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4510	0.000	1	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Ni<6>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8180	0.000	1	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Ni<6>,1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8120	0.171	2	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Os<6>,1|C<3>,1|H<1>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	121.1850	0.000	1	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4152	0.331	5	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Pd<4>,1|C<3>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1570	0.000	1	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Pd<4>,1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0572	0.266	9	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Pd<4>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1565	0.264	2	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Pd<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0272	0.397	4	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Pd<5>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3540	0.000	1	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3380	0.000	1	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Pt<4>,1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9555	0.282	6	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Pt<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7970	0.571	5	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Pt<5>,1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7990	0.131	3	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Pt<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0820	0.000	1	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Re<6>,1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	124.1875	5.687	2	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Re<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9749	0.408	13	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Rh<8>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1150	0.000	1	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Ru<6>,1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4500	0.000	1	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Ru<7>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0570	0.000	1	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Ru<8>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1090	0.000	1	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Ru<9>,1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2065	0.139	2	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|S<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9120	0.000	1	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Se<1>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5350	0.174	2	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Se<1>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9590	0.000	1	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Sn<5>,1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8390	0.000	1	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Ti<8>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8685	0.438	4	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Zn<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9835	0.298	2	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Zn<4>,1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6710	0.351	4	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Zn<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1514	0.114	5	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Zn<5>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0414	0.168	7	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0626	0.316	9	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){2|Mg<4>,1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7230	0.000	1	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){2|Os<5>,1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5440	0.000	1	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){2|Os<5>,1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6625	0.705	2	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7863	0.087	3	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|S<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4375	0.158	2	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1170	0.000	1	120.9750	0.436	448	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]P[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|P<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]P[5]){1|Se<1>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5630	0.000	1	120.5630	0.000	1	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]S[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]S[5]){1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1647	0.307	7	121.0575	0.173	8	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]S[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]S[5]){1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3070	0.000	1	121.0575	0.173	8	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]Se[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|H<1>,1|N<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]Se[5]){1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9900	0.000	1	120.9900	0.000	1	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]Si[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]Si[5]){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9730	0.000	1	119.9365	0.003	2	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]Si[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]Si[5]){1|Se<2>,1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9000	0.000	1	119.9365	0.003	2	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(S[5]C[5]){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9280	0.000	1	120.9280	0.000	1	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|P<4>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.4930	0.000	1	119.4930	0.000	1	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5,5]){1|C<3>,2|H<1>,2|S<2>}	H(C[6a]C[5,6a]C[6a])	122.8960	0.788	2	121.4130	1.989	5	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5,5]){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4243	0.049	3	121.4130	1.989	5	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<2>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5]){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0780	0.011	2	120.2969	0.390	75	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3965	0.075	4	120.2969	0.390	75	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<4>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5]){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1890	0.129	2	120.2969	0.390	75	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<2>,1|C<3>,1|H<1>,1|S<1>}	H(C[6a]C[5,6a]C[6a])	120.7580	0.105	2	120.2969	0.390	75	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<2>,1|H<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3048	0.505	5	120.2969	0.390	75	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5]){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2852	0.679	60	120.2969	0.390	75	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5]){1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2420	0.000	1	120.3069	3.184	14	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5]){1|C<2>,1|C<3>,1|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6765	0.060	2	120.3069	3.184	14	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5]){1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2456	2.027	11	120.3069	3.184	14	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<2>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5]){1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4990	0.000	1	120.1465	0.183	17	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<3>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5]){1|Br<1>,1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0400	0.000	1	120.1465	0.183	17	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<3>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5]){1|C<3>,1|I<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0510	0.000	1	120.1465	0.183	17	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<3>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5]){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	118.7840	0.000	1	120.1465	0.183	17	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<3>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5]){1|Cl<1>,1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4770	0.000	1	120.1465	0.183	17	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<3>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5]){1|Br<1>,1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0520	0.202	4	120.1465	0.183	17	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<3>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5]){1|C<3>,1|I<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2995	0.298	4	120.1465	0.183	17	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<3>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5]){1|C<3>,1|P<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1610	0.322	2	120.1465	0.183	17	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<3>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5]){1|Cl<1>,1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4560	0.028	2	120.1465	0.183	17	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(S[5]C[5]){2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5610	0.000	1	120.5610	0.000	1	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5]){1|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4111	0.366	13	120.5511	0.224	21	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5]){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5920	0.040	4	120.5511	0.224	21	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8320	0.000	1	120.5511	0.224	21	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5]){1|C<3>,1|N<3>,1|P<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7780	0.000	1	120.5511	0.224	21	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5]){1|P<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9120	0.000	1	120.5511	0.224	21	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]C[5,5]){1|Se<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3400	0.000	1	120.5511	0.224	21	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]Si[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|Si<5>,1|C<3>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]Si[5,5]){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.5260	0.000	1	119.8136	0.034	5	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]Si[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|Si<5>,1|C<3>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]Si[5,5]){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.8110	0.014	2	119.8136	0.034	5	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]Si[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|Si<5>,1|C<3>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(S[5]Si[5,5]){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9600	0.093	2	119.8136	0.034	5	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[6a]C[6a]H)(S[5]C[5,5a])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[6a]C[6a]H)(S[5]C[5,5a]){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5787	0.260	3	120.5787	0.068	3	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|B<3>,1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6465	0.910	2	120.8717	0.441	55	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|B<4>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7160	0.000	1	120.8717	0.441	55	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|B<4>,1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2120	0.011	2	120.8717	0.441	55	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|B<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9965	0.554	37	120.8717	0.441	55	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7673	0.124	4	120.8717	0.441	55	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3890	0.000	1	120.8717	0.441	55	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7950	0.000	1	120.8717	0.441	55	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0100	1.527	3	120.8717	0.441	55	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|Nb<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1000	0.000	1	120.8717	0.441	55	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.7540	1.097	2	120.8717	0.441	55	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7500	0.000	1	120.8717	0.441	55	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]H)(S[5]C[5,6a])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]H)(S[5]C[5,6a]){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	122.2330	0.000	1	122.2330	0.000	1	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[6a]S[5])(C[6a]C[6a]H)(S[5]N[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|N<2>}	C[5,6a](C[5,6a]N[6a]S[5])(C[6a]C[6a]H)(S[5]N[5]){1|C<3>,1|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1490	0.235	4	121.1490	0.055	4	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(S[5]Ga[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|Ga<4>,1|C<3>,1|H<1>,1|P<4>}	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(S[5]Ga[5,5]){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.4690	0.139	6	119.4586	0.016	8	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(S[5]Ga[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|Ga<4>,1|C<3>,1|H<1>,1|P<4>}	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(S[5]Ga[5,5]){2|H<1>,2|S<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.4275	0.112	2	119.4586	0.016	8	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(S[5]Ge[4x5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|Ge<6>,1|C<3>,1|H<1>,1|P<4>}	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(S[5]Ge[4x5]){1|P<4>,2|H<1>,3|C<3>,3|S<2>}	H(C[6a]C[5,6a]C[6a])	119.6263	0.088	3	119.6263	0.008	3	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(S[5]In[4x5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|In<6>,1|C<3>,1|H<1>,1|P<4>}	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(S[5]In[4x5]){1|P<4>,2|H<1>,3|C<3>,3|S<2>}	H(C[6a]C[5,6a]C[6a])	119.3467	0.329	3	119.3467	0.108	3	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]P[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|P<4>}	C[5,6a](C[5,6a]P[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|C<3>,1|S<1>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4170	0.000	1	120.4170	0.000	1	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	121.5080	0.126	3	121.5080	0.016	3	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|N<3>,1|S<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8820	0.000	1	121.7768	0.077	6	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,2|H<1>,2|N<3>}	H(C[6a]C[5,6a]C[6a])	121.8700	0.000	1	121.7768	0.077	6	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	122.2390	0.000	1	121.7768	0.077	6	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Cu<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(C[6a]C[5,6a]C[6a])	121.5950	0.000	1	121.7768	0.077	6	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Pt<4>,1|C<3>,1|H<1>,2|N<3>}	H(C[6a]C[5,6a]C[6a])	121.5375	0.043	2	121.7768	0.077	6	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N)(H){1|N<3>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	H(C[6a]C[5,6a]C[6a])	121.5900	0.014	2	120.5609	0.527	17	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N)(H){1|N<3>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5]){1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4237	0.657	15	120.5609	0.527	17	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4530	0.000	1	121.6036	0.097	10	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5878	0.406	6	121.6036	0.097	10	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6580	0.011	2	121.6036	0.097	10	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|Pt<4>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6a]C[5,6a]C[6a])	121.7400	0.000	1	121.6036	0.097	10	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]O)(H){1|O<2>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5]){1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3227	0.721	3	120.3227	0.520	3	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]O)(H){1|C<3>,1|N<2>,1|O<2>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5]){1|C<3>,1|H<1>,1|O<2>}	H(C[6a]C[5,6a]C[6a])	120.6700	0.305	2	120.6700	0.093	2	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,1|P<3>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5]){1|C<3>,1|H<1>,1|O<2>,1|P<3>}	H(C[6a]C[5,6a]C[6a])	120.0265	0.039	2	120.1140	0.015	6	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,1|P<3>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]P[5]){1|C<3>,1|H<1>,1|O<2>,1|S<2>}	H(C[6a]C[5,6a]C[6a])	120.1577	0.130	4	120.1140	0.015	6	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|B<4>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	H(C[6a]C[5,6a]C[6a])	121.3770	0.000	1	121.1670	0.088	2	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(S[5]C[5,6]){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	H(C[6a]C[5,6a]C[6a])	120.9570	0.000	1	121.1670	0.088	2	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]S)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|N<3>,1|S<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4200	0.000	1	121.4200	0.000	1	120.8109	0.568	831	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(Se[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[5,6a]H)(H){1|Se<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(Se[5]C[5,5]){1|Se<2>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3680	0.296	2	120.3680	0.087	2	120.5398	1.309	68	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Se[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[5,6a]H)(H){1|Se<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(Se[5]C[5]){1|Si<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4920	0.008	2	120.4920	0.000	2	120.5398	1.309	68	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(Se[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]2)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(Se[5]C[5,5]){1|Se<2>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.1360	0.000	1	119.1360	0.000	1	120.5398	1.309	68	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(Se[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(Se[5]C[5,5]){1|Se<2>,1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	120.0080	0.532	2	120.0080	0.283	2	120.5398	1.309	68	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]Cl)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]C[5]){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0880	0.000	1	121.0880	0.000	1	120.5398	1.309	68	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]F)(H){1|F<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5]){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	121.4840	0.091	2	121.4840	0.008	2	120.5398	1.309	68	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(Se[5]C[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(Se[5]C[5,5]){1|Se<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	118.5512	3.959	4	118.5512	15.672	4	120.5398	1.309	68	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(Se[5]N[5,5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(Se[5]N[5,5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3707	0.440	3	120.3707	0.193	3	120.5398	1.309	68	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(Se[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(Se[5]C[5,6]){1|Se<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8215	0.267	2	120.8215	0.071	2	120.5398	1.309	68	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]C[5]){1|Pt<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2670	0.154	3	120.0778	0.159	4	120.5398	1.309	68	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.5100	0.000	1	120.0778	0.159	4	120.5398	1.309	68	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7337	0.182	6	120.8872	0.461	19	120.5398	1.309	68	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5]){1|C<3>,1|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9720	0.000	1	120.8872	0.461	19	120.5398	1.309	68	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5]){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3159	0.978	7	120.8872	0.461	19	120.5398	1.309	68	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5]){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4755	0.042	2	120.8872	0.461	19	120.5398	1.309	68	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H){2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]N[5]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4400	0.106	3	120.8872	0.461	19	120.5398	1.309	68	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5,6])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5,6]){1|Se<2>,1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4090	0.000	1	120.4090	0.000	1	120.5398	1.309	68	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5]){1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6013	0.391	3	120.6524	0.329	19	120.5398	1.309	68	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5]){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8460	0.000	1	120.6524	0.329	19	120.5398	1.309	68	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5]){1|C<2>,1|C<3>,1|S<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7300	0.000	1	120.6524	0.329	19	120.5398	1.309	68	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6057	0.667	12	120.6524	0.329	19	120.5398	1.309	68	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5]){1|S<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3530	0.000	1	120.6524	0.329	19	120.5398	1.309	68	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3950	0.000	1	120.6524	0.329	19	120.5398	1.309	68	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]N[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]N[5]){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9188	0.377	4	120.9188	0.142	4	120.5398	1.309	68	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]Se[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|H<1>,1|N<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(Se[5]Se[5]){1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6620	0.000	1	120.6620	0.000	1	120.5398	1.309	68	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(Se[5]C[5]){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5110	0.000	1	120.5110	0.000	1	120.5398	1.309	68	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5a,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]N[5,5a,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]N[5,5a,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](N[5,5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(O[5]C[5]){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	122.4770	0.000	1	122.4770	0.000	1	122.4770	0.000	1	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]N[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a,6a]H)(H){1|N<3>,3|C<3>}	C[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]N[5]){1|Rh<6>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4430	0.000	1	120.4430	0.000	1	120.0223	1.040	10	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	118.2780	0.000	1	119.9607	2.318	3	120.0223	1.040	10	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3610	0.000	1	119.9607	2.318	3	120.0223	1.040	10	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]){1|Rh<6>,1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2430	0.000	1	119.9607	2.318	3	120.0223	1.040	10	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]S[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]S[5]){1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1370	0.000	1	120.1370	0.000	1	120.0223	1.040	10	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	C[5,6a](N[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[6a]C[5,6a]C[6a])	120.4875	0.129	2	119.9522	1.124	5	120.0223	1.040	10	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	C[5,6a](N[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.5953	1.327	3	119.9522	1.124	5	120.0223	1.040	10	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]N[5,6a]O[5])(C[6a]C[5,6a]C)(H)	C[5,6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]N[5,6a]O[5])(C[6a]C[5,6a]C)(H){1|C<4>,3|C<3>}	C[5,6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|H<1>,2|C<3>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	121.7670	0.000	1	121.7670	0.000	1	121.4480	0.204	2	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5,6a]N[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]N[5,6a]O[5])(C[6a]C[6a]C)(H){1|C<4>,3|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|H<1>,2|C<3>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	121.1290	0.000	1	121.1290	0.000	1	121.4480	0.204	2	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]N[5,6a]S[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]N[5,6a]S[5])(C[6a]C[6a,6a]H)(H){4|C<3>}	C[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8825	0.056	2	120.8825	0.003	2	120.8851	0.072	13	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]N[5,6a]S[5])(C[6a]C[6a]C)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]N[5,6a]S[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]){1|O<1>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9280	0.101	4	121.0326	0.021	8	120.8851	0.072	13	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]N[5,6a]S[5])(C[6a]C[6a]C)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]N[5,6a]S[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]){1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1372	0.103	4	121.0326	0.021	8	120.8851	0.072	13	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]N[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]N[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,2|C<4>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]){1|O<1>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5800	0.000	1	120.4933	0.037	3	120.8851	0.072	13	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]N[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]N[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]){1|O<1>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6270	0.000	1	120.4933	0.037	3	120.8851	0.072	13	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5,6a]N[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]N[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2730	0.000	1	120.4933	0.037	3	120.8851	0.072	13	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[5,6a]C[5,6a,6a]S[5])(H)	C[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[6a]C[5a,6a]H)(S[5]S[5])	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[5,6a]C[5,6a,6a]S[5])(H){2|S<2>,3|C<3>}	C[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[6a]C[5a,6a]H)(S[5]S[5]){1|S<2>,3|C<3>}	H(C[6a]C[5a,6a]C[5,6a])	121.0800	0.010	2	121.0800	0.000	2	121.0800	0.000	2	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(O[5]C[5])	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H){1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6a]C[5a,6a]C[5,6a])	121.7830	0.000	1	122.2135	0.371	2	122.9277	0.351	41	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(O[5]C[5])	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H){2|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|H<1>,1|O<1>,3|C<3>}	H(C[6a]C[5a,6a]C[5,6a])	122.6440	0.000	1	122.2135	0.371	2	122.9277	0.351	41	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[5,6a])	122.2023	0.125	3	122.5736	0.069	16	122.9277	0.351	41	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|N<3>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[5,6a])	122.6615	0.183	2	122.5736	0.069	16	122.9277	0.351	41	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|S<3>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[5,6a])	122.7296	0.152	7	122.5736	0.069	16	122.9277	0.351	41	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|S<4>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[5,6a])	122.8490	0.000	1	122.5736	0.069	16	122.9277	0.351	41	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[5,6a])	122.5385	0.175	2	122.5736	0.069	16	122.9277	0.351	41	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[5,6a])	122.2140	0.000	1	122.5736	0.069	16	122.9277	0.351	41	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	H(C[6a]C[5a,6a]C[5,6a])	122.9060	0.000	1	122.9060	0.000	1	122.9277	0.351	41	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	H(C[6a]C[5a,6a]C[5,6a])	122.6795	0.482	2	122.6795	0.232	2	122.9277	0.351	41	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(O[5]C[5])	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|Ir<8>,1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[5,6a])	124.5600	0.000	1	124.5600	0.000	1	122.9277	0.351	41	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|C<3>,1|N<2>,3|H<1>}	H(C[6a]C[5a,6a]C[5,6a])	122.1920	0.031	2	122.7100	0.373	4	122.9277	0.351	41	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|O<2>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	H(C[6a]C[5a,6a]C[5,6a])	123.0770	0.000	1	122.7100	0.373	4	122.9277	0.351	41	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|C<3>,1|N<2>,3|H<1>}	H(C[6a]C[5a,6a]C[5,6a])	123.3790	0.000	1	122.7100	0.373	4	122.9277	0.351	41	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	H(C[6a]C[5a,6a]C[5,6a])	123.6590	0.000	1	123.5258	0.017	13	122.9277	0.351	41	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	H(C[6a]C[5a,6a]C[5,6a])	123.5147	0.130	12	123.5258	0.017	13	122.9277	0.351	41	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5])	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|C<3>,1|S<2>,3|H<1>}	H(C[6a]C[5a,6a]C[5,6a])	122.4645	0.022	2	122.4645	0.000	2	122.9277	0.351	41	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]S[5])(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5a,6a]H)(S[5]N[5])	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]S[5])(H){1|C<3>,2|N<2>,2|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5a,6a]H)(S[5]N[5]){1|C<3>,1|H<1>,1|N<2>}	H(C[6a]C[5a,6a]C[5,6a])	122.4270	0.791	8	122.4270	0.626	8	122.2348	0.559	11	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]S[5])(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5a,6a]H)(S[5]N[5])	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]S[5])(H){1|C<3>,2|N<2>,2|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5a,6a]H)(S[5]N[5]){1|C<3>,1|H<1>,1|S<2>}	H(C[6a]C[5a,6a]C[5,6a])	121.7223	0.250	3	121.7223	0.063	3	122.2348	0.559	11	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]Se[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(Se[5]C[5])	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]Se[5])(H){1|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(Se[5]C[5]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[5,6a])	121.6805	0.077	2	121.6805	0.006	2	121.6805	0.006	2	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[6,6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6,6a]H)(O[5]C[5])	H(C[6a]C[6,6,6a]C[5,6a])	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[6,6,6a]C[5,6a])	122.0450	0.089	2	122.1280	0.025	3	122.1165	0.017	4	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[6,6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6,6a]H)(O[5]C[5])	H(C[6a]C[6,6,6a]C[5,6a])	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[6,6,6a]C[5,6a])	122.2940	0.000	1	122.1280	0.025	3	122.1165	0.017	4	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[6,6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[6,6,6a]C[6,6,6a]C[4x6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6,6a]H)(O[5]C[5])	H(C[6a]C[6,6,6a]C[5,6a])	C[6a](C[6,6,6a]C[6,6,6a]C[4x6])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[6,6,6a]C[5,6a])	122.0820	0.000	1	122.0820	0.000	1	122.1165	0.017	4	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[6,6a]C[5,4x6]C[6,6a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[6,6a]C[5,4x6]C[6,6a])(C[5,6a]C[5,6a]O[5])(H){1|O<2>,2|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6,6a])	120.3980	0.000	1	120.3980	0.000	1	121.3074	0.460	85	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[6,6a]C[5,5,6]C[6,6a])(C[5,6a]C[5,6a]O[5])(H){1|N<3>,1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6,6a])	121.3940	0.000	1	121.3940	0.000	1	121.3074	0.460	85	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|O<2>,5|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6,6a])	121.1840	0.000	1	121.4390	0.174	10	121.3074	0.460	85	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6,6a])	121.4420	0.000	1	121.4390	0.174	10	121.3074	0.460	85	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[5,6a]C[5,6a]O[5])(H){1|O<2>,2|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6,6a])	121.3176	0.175	7	121.4390	0.174	10	121.3074	0.460	85	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[5,6a]C[5,6a]O[5])(H){1|O<2>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6,6a])	122.5410	0.000	1	121.4390	0.174	10	121.3074	0.460	85	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[6,6a]C[5a,6]C[6,6a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[6,6a]C[5a,6]C[6,6a])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|N<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6,6a])	121.3920	0.000	1	121.3920	0.000	1	121.3074	0.460	85	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[6,6a]C[6,6,6a]C[6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[6,6a]C[6,6,6a]C[6])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6,6a])	121.1797	0.284	3	121.2823	0.096	4	121.3074	0.460	85	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[6,6a]C[6,6,6a]C[6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[6,6a]C[6,6,6a]C[6])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6,6a])	121.5900	0.000	1	121.2823	0.096	4	121.3074	0.460	85	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6,6a])	121.7717	0.263	4	121.4925	0.237	6	121.3074	0.460	85	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[6,6a]C[6,6a,6a]C[6])(C[5,6a]C[5,6a]O[5])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6,6a])	120.9340	0.204	2	121.4925	0.237	6	121.3074	0.460	85	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[3,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[6,6a]C[6,6a]C[3,6])(C[5,6a]C[5,6a]O[5])(H){2|C<3>,2|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6,6a])	121.2960	0.000	1	121.2960	0.000	1	121.3074	0.460	85	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6,6a])	121.4500	0.000	1	121.4846	0.924	14	121.3074	0.460	85	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6,6a])	120.5770	0.000	1	121.4846	0.924	14	121.3074	0.460	85	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6,6a])	121.2070	0.000	1	121.4846	0.924	14	121.3074	0.460	85	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6,6a])	121.5460	0.000	1	121.4846	0.924	14	121.3074	0.460	85	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,1|O<2>,1|S<4>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6,6a])	121.2210	0.000	1	121.4846	0.924	14	121.3074	0.460	85	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6,6a])	122.3143	1.994	3	121.4846	0.924	14	121.3074	0.460	85	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6,6a])	121.7985	0.145	2	121.4846	0.924	14	121.3074	0.460	85	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H){1|O<2>,1|S<4>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6,6a])	121.1570	0.199	2	121.4846	0.924	14	121.3074	0.460	85	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H){1|O<2>,2|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6,6a])	120.9210	0.000	1	121.4846	0.924	14	121.3074	0.460	85	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H){1|O<2>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6,6a])	121.0090	0.000	1	121.4846	0.924	14	121.3074	0.460	85	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6,6a])	120.5623	0.991	8	121.2210	0.469	47	121.3074	0.460	85	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|H<1>,1|N<4>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6,6a])	121.3110	0.024	2	121.2210	0.469	47	121.3074	0.460	85	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6,6a])	121.2190	0.000	1	121.2210	0.469	47	121.3074	0.460	85	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6,6a])	120.9810	0.533	2	121.2210	0.469	47	121.3074	0.460	85	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|N<4>,2|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6,6a])	121.2980	0.000	1	121.2210	0.469	47	121.3074	0.460	85	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6,6a])	120.7660	0.000	1	121.2210	0.469	47	121.3074	0.460	85	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6,6a])	121.6570	0.000	1	121.2210	0.469	47	121.3074	0.460	85	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6,6a])	120.3940	0.000	1	121.2210	0.469	47	121.3074	0.460	85	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6,6a])	121.3200	0.710	6	121.2210	0.469	47	121.3074	0.460	85	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6,6a])	120.8980	0.016	3	121.2210	0.469	47	121.3074	0.460	85	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6,6a])	121.3536	0.490	10	121.2210	0.469	47	121.3074	0.460	85	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H){1|N<3>,1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6,6a])	121.4070	0.000	1	121.2210	0.469	47	121.3074	0.460	85	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H){1|O<2>,2|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6,6a])	120.9560	0.000	1	121.2210	0.469	47	121.3074	0.460	85	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H){1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6,6a])	121.7833	0.125	4	121.2210	0.469	47	121.3074	0.460	85	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H){1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6,6a])	121.9097	0.699	3	121.2210	0.469	47	121.3074	0.460	85	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]O[5])(H){2|C<3>,2|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6,6a])	121.7975	0.088	2	121.2210	0.469	47	121.3074	0.460	85	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(N[5]C[5])	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(N[5]C[5]){1|Si<4>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	120.7020	0.065	2	120.7020	0.004	2	120.7020	0.004	2	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){2|H<1>,3|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	121.7450	0.000	1	123.6680	7.396	2	121.5582	0.406	73	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6,6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){2|H<1>,3|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	125.5910	0.000	1	123.6680	7.396	2	121.5582	0.406	73	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[6a,6a]C[5,6a])	121.3147	0.190	15	121.3147	0.036	15	121.5582	0.406	73	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(O[5]C[5])	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(O[5]C[5]){1|S<1>,2|C<3>,2|H<1>}	H(C[6a]C[6a,6a]C[5,6a])	121.6830	0.000	1	121.6830	0.000	1	121.5582	0.406	73	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5,5])	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5,5]){1|H<1>,4|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	121.5920	0.040	2	121.6554	0.083	11	121.5582	0.406	73	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5,5])	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5,5]){2|O<2>,3|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	121.6694	0.320	9	121.6554	0.083	11	121.5582	0.406	73	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5,6])	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5,6]){1|H<1>,2|C<3>,2|C<4>}	H(C[6a]C[6a,6a]C[5,6a])	121.1893	0.174	4	121.1893	0.030	4	121.5582	0.406	73	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[6a,6a]C[5,6a])	121.2520	0.000	1	121.4210	0.182	33	121.5582	0.406	73	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){1|H<1>,2|C<3>,2|C<4>}	H(C[6a]C[6a,6a]C[5,6a])	121.4150	0.047	2	121.4210	0.182	33	121.5582	0.406	73	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[6a,6a]C[5,6a])	121.2626	0.176	21	121.4210	0.182	33	121.5582	0.406	73	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|N<2>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[6a,6a]C[5,6a])	121.6090	0.000	1	121.4210	0.182	33	121.5582	0.406	73	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[6a,6a]C[5,6a])	122.3300	0.863	3	121.4210	0.182	33	121.5582	0.406	73	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[6a,6a]C[5,6a])	121.0240	0.000	1	121.4210	0.182	33	121.5582	0.406	73	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[6a,6a]C[5,6a])	121.9040	0.130	2	121.4210	0.182	33	121.5582	0.406	73	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[6a,6a]C[5,6a])	121.4240	0.000	1	121.4210	0.182	33	121.5582	0.406	73	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]O[5])(H){1|N<2>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){2|C<3>,3|H<1>}	H(C[6a]C[6a,6a]C[5,6a])	121.4420	0.000	1	121.4210	0.182	33	121.5582	0.406	73	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	H(C[6a]C[6a,6a]C[5,6a])	121.6860	0.000	1	121.6095	0.012	2	121.5582	0.406	73	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]O[5])(H){1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	H(C[6a]C[6a,6a]C[5,6a])	121.5330	0.000	1	121.6095	0.012	2	121.5582	0.406	73	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(O[5]C[5])	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[5,6a]O[5])(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[6a]C[6a,6a]C[5,6a])	122.3095	0.093	2	122.3095	0.009	2	121.5582	0.406	73	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,3|H<1>}	H(C[6a]C[6a,6a]C[5,6a])	122.3270	0.000	1	122.4373	0.023	3	121.5582	0.406	73	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5])	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]C[5]){1|C<3>,2|H<1>,2|O<2>}	H(C[6a]C[6a,6a]C[5,6a])	122.4925	0.165	2	122.4373	0.023	3	121.5582	0.406	73	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]S[5])(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a,6a]H)(S[5]C[5])	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]S[5])(H){1|H<1>,1|S<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a,6a]H)(S[5]C[5]){1|H<1>,3|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	119.0785	0.841	4	119.0785	0.707	4	120.0780	0.475	20	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]S[5])(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a,6a]H)(S[5]C[5])	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]S[5])(H){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a,6a]H)(S[5]C[5]){1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	121.3690	0.000	1	120.3278	0.128	16	120.0780	0.475	20	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]S[5])(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a,6a]H)(S[5]C[5])	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]S[5])(H){1|N<2>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a,6a]H)(S[5]C[5]){1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	120.2483	0.238	14	120.3278	0.128	16	120.0780	0.475	20	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]S[5])(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a,6a]H)(S[5]C[5])	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]S[5])(H){1|N<3>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a,6a]H)(S[5]C[5]){1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	120.4000	0.000	1	120.3278	0.128	16	120.0780	0.475	20	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]Se[5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a,6a]H)(Se[5]N[5,5])	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]Se[5])(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a,6a]H)(Se[5]N[5,5]){1|C<4>,1|O<2>,3|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	120.5990	0.000	1	120.5990	0.000	1	120.3000	0.179	2	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:2:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]Se[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(Se[5]N[5])	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]Se[5])(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(Se[5]N[5]){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	120.0010	0.000	1	120.0010	0.000	1	120.3000	0.179	2	121.3267	0.858	3500	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[4,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[4,6a]H)	H(C[6a]C[4,6a]C[5,6a])	C[6a](C[4,6a]C[4,6a]C[4])(C[5,6a]C[5,6a]2)(H){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[4,6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[4,6a]C[5,6a])	122.3060	0.000	1	122.3060	0.000	1	122.3060	0.000	1	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,5]C[5,5]Se[5])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[5])(H){1|Se<2>,1|C<4>,6|C<3>}	C[5,6a](C[5,5]C[5,5]Se[5])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|C<4>,1|H<1>,5|C<3>}	H(C[6a]C[5,6a]2)	121.3710	0.000	1	121.3710	0.000	1	120.8195	0.450	4	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]S[5])(H)	C[5,6a](C[5,5]C[5,5]Si[5])(C[5,6a]C[6a]S[5])(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]S[5])(H){1|Si<4>,1|S<4>,2|O<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]Si[5])(C[5,6a]C[6a]S[5])(C[6a]C[5,6a]H){1|H<1>,1|S<4>,2|C<4>,2|O<1>,3|C<3>}	H(C[6a]C[5,6a]2)	121.4260	0.000	1	121.4260	0.000	1	120.8195	0.450	4	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]Se[5])(H)	C[5,6a](C[5,5]C[5,5]Si[5])(C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]Se[5])(H){1|Se<2>,1|Si<4>,4|C<3>}	C[5,6a](C[5,5]C[5,5]Si[5])(C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]H){1|Se<2>,1|H<1>,2|C<4>,3|C<3>}	H(C[6a]C[5,6a]2)	120.2405	0.088	2	120.2405	0.008	2	120.8195	0.450	4	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H){7|C<3>}	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|H<1>,6|C<3>}	H(C[6a]C[5,6a]2)	121.0820	0.000	1	121.0820	0.000	1	121.0698	0.102	17	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H){1|C<4>,1|S<2>,6|C<3>}	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|C<4>,1|H<1>,5|C<3>}	H(C[6a]C[5,6a]2)	121.2104	0.285	5	121.1621	0.052	13	121.0698	0.102	17	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H){1|S<2>,3|C<4>,4|C<3>}	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|H<1>,3|C<3>,3|C<4>}	H(C[6a]C[5,6a]2)	121.0472	0.092	6	121.1621	0.052	13	121.0698	0.102	17	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H){1|S<2>,6|C<3>}	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|H<1>,5|C<3>}	H(C[6a]C[5,6a]2)	121.3860	0.263	2	121.1621	0.052	13	121.0698	0.102	17	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H){7|C<3>}	C[5,6a](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|H<1>,1|S<2>,5|C<3>}	H(C[6a]C[5,6a]2)	120.9240	0.000	2	120.9240	0.000	2	121.0698	0.102	17	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]Si[5])(H)	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]Si[5])(H){1|Si<4>,1|S<2>,2|C<4>,4|C<3>}	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H){1|Si<4>,1|H<1>,2|C<4>,3|C<3>}	H(C[6a]C[5,6a]2)	120.1490	0.000	1	120.1490	0.000	1	121.0698	0.102	17	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H){1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]2)	122.4840	0.107	2	122.4840	0.012	2	122.4840	0.012	2	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]Si[5])(H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[5,5]C[5,5]S[5])(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]Si[5])(H){1|Si<4>,1|S<4>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[5,5]C[5,5]S[5])(C[6a]C[5,6a]H){1|Si<4>,1|H<1>,2|C<4>,2|O<1>,3|C<3>}	H(C[6a]C[5,6a]2)	119.9800	0.000	1	119.9800	0.000	1	119.9800	0.000	1	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)2(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]2)2(H){2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H){2|H<1>,6|C<3>}	H(C[6a]C[5,6a]2)	121.2640	0.114	4	121.2640	0.013	4	120.8891	0.471	41	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){1|C<2>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|C<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]2)	121.0640	0.059	2	121.0906	0.080	29	120.8891	0.471	41	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){1|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){2|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]2)	121.3717	0.119	4	121.0906	0.080	29	120.8891	0.471	41	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){1|C<4>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|C<4>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]2)	121.2650	0.298	2	121.0906	0.080	29	120.8891	0.471	41	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){1|C<4>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){2|H<1>,3|C<3>,3|C<4>}	H(C[6a]C[5,6a]2)	121.0370	0.000	1	121.0906	0.080	29	120.8891	0.471	41	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){1|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]2)	121.2830	0.000	1	121.0906	0.080	29	120.8891	0.471	41	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){1|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]2)	121.2255	0.251	2	121.0906	0.080	29	120.8891	0.471	41	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){1|P<2>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|P<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]2)	120.6695	0.404	2	121.0906	0.080	29	120.8891	0.471	41	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){2|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]2)	121.1963	0.164	4	121.0906	0.080	29	120.8891	0.471	41	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){3|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|C<4>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]2)	120.7150	0.000	1	121.0906	0.080	29	120.8891	0.471	41	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){3|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){2|H<1>,3|C<3>,3|C<4>}	H(C[6a]C[5,6a]2)	120.9863	0.115	3	121.0906	0.080	29	120.8891	0.471	41	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]2)	120.8090	0.228	2	121.0906	0.080	29	120.8891	0.471	41	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]2)	121.0590	0.366	5	121.0906	0.080	29	120.8891	0.471	41	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]P[5])(C[5,6a]C[5,6a]2)(H){1|P<4>,1|S<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[5,6a]H){1|P<4>,1|S<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]2)	120.8185	0.012	2	120.8185	0.000	2	120.8891	0.471	41	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Se[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]Se[5])(C[5,6a]C[5,6a]2)(H){1|Se<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]H){1|Se<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]2)	120.6640	0.021	2	120.6640	0.000	2	120.8891	0.471	41	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]Si[5])(C[5,6a]C[5,6a]2)(H){1|Si<4>,1|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H){1|Si<4>,1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]2)	118.7225	1.541	2	119.2018	1.098	4	120.8891	0.471	41	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]Si[5])(C[5,6a]C[5,6a]2)(H){1|Si<4>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H){1|Si<4>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]2)	119.7040	0.000	1	119.2018	1.098	4	120.8891	0.471	41	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]Si[5])(C[5,6a]C[5,6a]2)(H){1|Si<4>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H){1|Si<4>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]2)	119.6580	0.000	1	119.2018	1.098	4	120.8891	0.471	41	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H){1|S<2>,6|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,1|S<2>,5|C<3>}	H(C[6a]C[5,6a]2)	119.8950	0.000	1	120.5823	0.354	3	120.7442	0.175	13	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H){7|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,1|S<2>,5|C<3>}	H(C[6a]C[5,6a]2)	120.9260	0.000	2	120.5823	0.354	3	120.7442	0.175	13	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H){1|S<2>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[5,6a]H){1|H<1>,6|C<3>}	H(C[6a]C[5,6a]2)	120.8510	0.000	1	120.8930	0.004	2	120.7442	0.175	13	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H){7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[5,6a]H){1|H<1>,6|C<3>}	H(C[6a]C[5,6a]2)	120.9350	0.000	1	120.8930	0.004	2	120.7442	0.175	13	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){7|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,1|S<2>,5|C<3>}	H(C[6a]C[5,6a]2)	119.8290	0.000	1	120.2340	0.328	2	120.7442	0.175	13	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){7|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,6|C<3>}	H(C[6a]C[5,6a]2)	120.6390	0.000	1	120.2340	0.328	2	120.7442	0.175	13	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[4])(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[4])(C[6a]C[5,6a]H){1|H<1>,6|C<3>}	H(C[6a]C[5,6a]2)	120.8565	0.111	2	120.8565	0.012	2	120.7442	0.175	13	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[5,6a]H){1|H<1>,2|S<2>,4|C<3>}	H(C[6a]C[5,6a]2)	120.8455	0.223	2	120.8455	0.050	2	120.7442	0.175	13	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[5,6a]H){1|H<1>,6|C<3>}	H(C[6a]C[5,6a]2)	121.1410	0.000	1	121.1410	0.000	1	120.7442	0.175	13	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])2(H){3|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[5,6a]H){2|H<1>,3|C<3>,3|C<4>}	H(C[6a]C[5,6a]2)	121.1280	0.000	1	121.1280	0.000	1	120.7442	0.175	13	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6a]C)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){1|C<2>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6a]C){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]2)	121.1030	0.095	2	121.3527	0.078	6	122.1739	0.979	79	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6a]C)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){1|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6a]C){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]2)	121.4775	0.255	4	121.3527	0.078	6	122.1739	0.979	79	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6a]O)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){1|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6a]O){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]2)	121.2333	0.203	3	121.2333	0.041	3	122.1739	0.979	79	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6a]P)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){1|P<2>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6a]P){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]2)	120.6640	0.512	2	120.6640	0.262	2	122.1739	0.979	79	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]N[5])(H){1|C<4>,1|O<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6a]C[5,6a]2)	123.0943	0.119	3	123.0943	0.014	3	122.1739	0.979	79	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]N[5])(H){1|C<4>,1|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6a]C[5,6a]2)	122.0690	0.041	2	122.0690	0.002	2	122.1739	0.979	79	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6]O)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6]O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6a]C[5,6a]2)	122.6435	0.005	2	122.6435	0.000	2	122.1739	0.979	79	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]C)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){2|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]C){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6a]C[5,6a]2)	122.4120	0.106	2	122.4120	0.011	2	122.1739	0.979	79	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|O<1>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]O){1|C<3>,1|O<2>,3|H<1>}	H(C[6a]C[5,6a]2)	123.1190	0.000	1	123.1190	0.000	1	122.1739	0.979	79	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]C){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(C[6a]C[5,6a]2)	121.7685	0.332	2	121.7685	0.110	2	122.1739	0.979	79	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]P[5])(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[5,6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]P[5])(H){1|H<1>,1|O<1>,1|P<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[5,6a]H)(C[5]C[5]H){1|H<1>,1|O<1>,1|P<4>,3|C<3>}	H(C[6a]C[5,6a]2)	121.3145	0.103	2	121.3145	0.011	2	122.1739	0.979	79	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]S[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]S[5])(H){1|N<3>,1|O<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|S<2>}	H(C[6a]C[5,6a]2)	121.5803	0.060	4	121.5435	0.009	6	122.1739	0.979	79	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]S[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]S[5])(H){1|N<3>,1|O<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O){1|H<1>,1|O<1>,1|S<2>,2|C<3>}	H(C[6a]C[5,6a]2)	121.4700	0.137	2	121.5435	0.009	6	122.1739	0.979	79	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])2(H){1|C<4>,1|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]O){1|C<4>,1|H<1>,4|C<3>}	H(C[6a]C[5,6a]2)	121.5950	0.000	1	121.5950	0.000	1	122.1739	0.979	79	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])2(H){1|C<4>,1|O<1>,1|O<2>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[5,6a]2)	122.1400	0.000	1	122.7564	0.609	32	122.1739	0.979	79	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])2(H){2|N<3>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6a]C[5,6a]2)	122.8218	0.869	25	122.7564	0.609	32	122.1739	0.979	79	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])2(H){2|N<3>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O){1|H<1>,1|O<1>,3|C<3>}	H(C[6a]C[5,6a]2)	122.6658	0.068	4	122.7564	0.609	32	122.1739	0.979	79	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])2(H){2|N<3>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O){1|N<3>,1|O<1>,3|C<3>}	H(C[6a]C[5,6a]2)	122.4285	0.047	2	122.7564	0.609	32	122.1739	0.979	79	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])2(H){1|Cl<1>,1|C<4>,1|O<1>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]O){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5,6a]2)	119.4710	0.000	1	122.5260	1.554	8	122.1739	0.979	79	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])2(H){2|O<1>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]O){1|H<1>,1|O<1>,2|C<3>}	H(C[6a]C[5,6a]2)	122.9624	0.189	7	122.5260	1.554	8	122.1739	0.979	79	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])2(H){2|O<1>,2|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]H)(C[5]C[5]O){1|C<4>,3|C<3>}	H(C[6a]C[5,6a]2)	120.9300	0.000	1	120.9300	0.000	1	122.1739	0.979	79	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Se[5])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]Se[5])(C[5,6a]C[5,6a]C[5])(H){1|Se<2>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]H)(C[5]C[5]H){1|Se<2>,1|H<1>,2|C<3>}	H(C[6a]C[5,6a]2)	121.5845	1.218	2	121.5845	1.484	2	122.1739	0.979	79	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Se[5])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]H)(C[5]C[5]S)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]Se[5])(C[5,6a]C[5,6a]C[5])(H){1|Se<2>,1|S<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]H)(C[5]C[5]S){1|Se<2>,1|C<3>,2|H<1>}	H(C[6a]C[5,6a]2)	120.4820	0.000	1	120.4820	0.000	1	122.1739	0.979	79	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Se[5])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]H)(C[5]C[5]Se)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]Se[5])(C[5,6a]C[5,6a]C[5])(H){2|Se<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[5,6a]H)(C[5]C[5]Se){1|Se<2>,1|C<3>,2|H<1>}	H(C[6a]C[5,6a]2)	120.8835	0.265	2	120.8835	0.070	2	122.1739	0.979	79	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]Si[5])(C[5,6a]C[5,6a]C[5])(H){1|Si<4>,1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[5,6a]H)(C[5]C[5]H){1|Si<4>,1|H<1>,2|C<3>,2|C<4>}	H(C[6a]C[5,6a]2)	120.1590	0.000	1	120.1590	0.000	1	122.1739	0.979	79	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]N[5])(H){1|C<4>,1|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(N[5]C[5]C){1|H<1>,1|O<1>,3|C<3>}	H(C[6a]C[5,6a]2)	122.0380	0.095	2	122.0380	0.009	2	122.7378	1.449	31	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]N[5])(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]2)	122.9660	0.000	1	123.0924	0.023	5	122.7378	1.449	31	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]N[5])(H){1|C<4>,1|O<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]2)	123.1240	0.156	4	123.0924	0.023	5	122.7378	1.449	31	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[5,6a]H)(N[5]C[5,6]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[5,6a]H)(N[5]C[5,6]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6a]C[5,6a]2)	122.6183	0.627	4	122.6183	0.393	4	122.7378	1.449	31	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]N[5])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(N[5]C[5]H){1|Ir<8>,1|C<3>,1|H<1>,1|O<2>}	H(C[6a]C[5,6a]2)	124.2170	0.000	1	124.2170	0.000	1	122.7378	1.449	31	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]N[5])2(H){2|C<4>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]2)	123.5625	0.308	10	123.3736	0.170	14	122.7378	1.449	31	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]N[5])2(H){2|C<4>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6a]C[5,6a]2)	122.9370	0.279	2	123.3736	0.170	14	122.7378	1.449	31	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]N[5])2(H){2|C<4>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]C){1|Ir<6>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6a]C[5,6a]2)	122.8660	0.147	2	123.3736	0.170	14	122.7378	1.449	31	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]N[5])2(H){2|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,3|H<1>}	H(C[6a]C[5,6a]2)	123.4140	0.000	1	123.4140	0.000	1	122.7378	1.449	31	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])2(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]Ge[5]C)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]N[5])2(H){2|Ge<2>,1|C<3>,2|C<4>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)(N[5]Ge[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6a]C[5,6a]2)	119.9995	0.086	4	119.9995	0.007	4	122.7378	1.449	31	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5a,6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(H)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(H){7|C<3>}	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){1|S<2>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[5,6a])	120.9800	0.000	1	120.9800	0.000	1	121.4305	0.502	4	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5a,6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(H)	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(H){1|S<2>,6|C<3>}	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){1|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[5,6a])	121.4670	0.000	1	121.4670	0.000	1	121.4305	0.502	4	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5a,6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(H)	C[5,6a](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(H){7|C<3>}	C[5,6a](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){1|H<1>,1|S<2>,5|C<3>}	H(C[6a]C[5a,6a]C[5,6a])	121.6375	1.102	2	121.6375	1.215	2	121.4305	0.502	4	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5a,6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H){7|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|S<2>,5|C<3>}	H(C[6a]C[5a,6a]C[5,6a])	120.9800	0.000	1	120.9800	0.000	1	120.9856	0.004	5	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5a,6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H){7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[5a,6a]H){1|H<1>,2|S<2>,4|C<3>}	H(C[6a]C[5a,6a]C[5,6a])	120.9420	0.000	1	120.9420	0.000	1	120.9856	0.004	5	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5a,6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H){7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,6|C<3>}	H(C[6a]C[5a,6a]C[5,6a])	121.0020	0.081	3	121.0020	0.007	3	120.9856	0.004	5	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5a,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5,6a]C)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H){1|C<2>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5,6a]C){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[5,6a])	121.0325	0.047	2	121.0325	0.002	2	120.7520	0.107	4	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5a,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[5a,6a]H)(C[5]C[5]H)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H){1|Se<2>,1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[5a,6a]H)(C[5]C[5]H){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[5,6a])	120.4715	0.063	2	120.4715	0.004	2	120.7520	0.107	4	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5a,6a]-3:H-1:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]N[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(C[5]N[5]O)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5,6a]N[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H){1|C<4>,1|O<1>,2|N<3>,3|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(C[5]N[5]O){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	H(C[6a]C[5a,6a]C[5,6a])	121.9090	0.000	1	121.9090	0.000	1	121.9090	0.000	1	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6]-3:N[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]N[5,6a]C[5,6])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6]C[5,6]N[6])(N[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]N[5,6a]C[5,6])(C[6,6a]C[6,6a]C[6])(H){1|N<3>,1|O<2>,3|C<3>,3|C<4>}	C[5,6a](C[5,6]C[5,6]N[6])(N[5,6a]C[6a]C[5])(C[6a]C[6,6a]H){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6,6a])	121.3590	0.641	2	121.3590	0.410	2	121.3590	0.410	2	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6,6a])	121.1850	0.000	1	121.1850	0.000	1	120.8771	0.227	8	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(H){1|O<1>,2|C<3>,2|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6a]C[5,6a]C[6,6a])	120.3165	0.189	2	120.3937	0.036	3	120.8771	0.227	8	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(H){1|O<2>,2|C<3>,2|C<4>,2|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]O){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6,6a])	120.5480	0.000	1	120.3937	0.036	3	120.8771	0.227	8	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]O[6])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]O[6])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]N[5]O){2|C<3>,2|H<1>,2|O<2>}	H(C[6a]C[5,6a]C[6,6a])	121.0710	0.000	1	121.0710	0.000	1	120.8771	0.227	8	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]O[6])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]O[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]O){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(C[6a]C[5,6a]C[6,6a])	121.4430	0.110	2	121.4430	0.012	2	120.8771	0.227	8	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]O[6])(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6,6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]O[6])(H){1|C<4>,1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6,6a]H)(C[5]C[5]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6a]C[5,6a]C[6,6a])	120.6940	0.000	1	120.6940	0.000	1	120.8771	0.227	8	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]O[6])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6,6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]O[6])(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6,6a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[6a]C[5,6a]C[6,6a])	121.5380	0.000	1	121.5380	0.000	1	121.5380	0.000	1	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:N[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6,6a]C[6,6a]C[6])(H){1|N<2>,1|O<2>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6,6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6,6a])	121.5410	0.000	1	121.5410	0.000	1	121.5410	0.000	1	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,6|C<3>}	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){1|H<1>,2|N<3>,4|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	120.2050	0.000	1	120.0325	0.060	2	119.8238	0.078	4	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,6|C<3>}	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){2|Si<4>,1|H<1>,4|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	119.8600	0.000	1	120.0325	0.060	2	119.8238	0.078	4	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(H){1|Si<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a,6a]H){1|H<1>,2|C<4>,5|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	119.6150	0.027	2	119.6150	0.001	2	119.8238	0.078	4	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[5,6a,6a]C[6a])(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[5,6a,6a]C[6a])(H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	119.5904	0.652	7	119.5904	0.425	7	119.5957	0.512	11	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(H)	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	119.6050	0.926	4	119.6050	0.858	4	119.5957	0.512	11	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(C[5]C[5]H)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a,6a]C[6a,6a]C[6a])(H){2|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(C[5]C[5]H){1|H<1>,4|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	119.3770	0.000	1	119.3770	0.000	1	120.5638	0.426	6	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(C[5]N[5]O)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(C[5]N[5]O){1|C<4>,4|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	120.6253	0.273	3	120.8012	0.109	5	120.5638	0.426	6	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(C[5]N[5]O)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(C[5]N[5]O){1|H<1>,4|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	121.0650	0.238	2	120.8012	0.109	5	120.5638	0.426	6	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(N[5]C[5]C)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a,6a]C[6a,6a]C[6a])(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(N[5]C[5]C){1|O<1>,4|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	120.8560	0.000	1	120.8560	0.000	1	120.8290	0.001	2	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(N[5]C[5]H)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a,6a]C[6a,6a]C[6a])(H){2|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(N[5]C[5]H){1|O<1>,4|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	120.8020	0.000	1	120.8020	0.000	1	120.8290	0.001	2	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a,6a]2)(H){7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	119.2445	0.049	2	119.2445	0.002	2	119.2445	0.002	2	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a,6a]2)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a,6a]H)(C[5]C[6a]C[5])	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a,6a]2)(H){1|P<4>,6|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a,6a]H)(C[5]C[6a]C[5]){1|H<1>,1|O<1>,6|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	119.5550	0.000	1	119.5550	0.000	1	119.5550	0.000	1	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a,6a]C[6a,6a]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[6a]Ge[5])	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a,6a]C[6a,6a]2)(H){1|Ge<2>,1|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[6a]Ge[5]){1|H<1>,5|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	119.4968	0.341	6	119.4968	0.116	6	119.4968	0.116	6	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,5]C[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[4,5]C[4,5]C[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8020	0.000	1	120.3150	1.137	3	120.3150	1.137	3	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,5]C[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[4,5]C[4,5]C[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0715	1.385	2	120.3150	1.137	3	120.3150	1.137	3	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6a]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0725	0.050	2	121.1160	0.138	30	121.1160	0.138	30	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6a]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9735	0.271	2	121.1160	0.138	30	121.1160	0.138	30	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6a]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1303	0.394	26	121.1160	0.138	30	121.1160	0.138	30	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,5,6a]C[5,6a]Se[5,5])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6a]C[5])(C[6a]C[6a]C)(H){1|Se<4>,1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,5,6a]C[5,6a]Se[5,5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<4>,1|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.6775	0.138	2	119.6775	0.019	2	120.1500	0.327	4	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6a]C[5,6a]I[5,5])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|I<3>,1|O<1>,1|O<2>}	C[5,6a](C[5,5,6a]C[5,6a]I[5,5])(C[6a]C[6a]H)(C[5]O[5]O){1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6225	0.262	2	120.6225	0.069	2	120.1500	0.327	4	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.7115	0.073	2	121.7115	0.005	2	121.7115	0.005	2	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a,6a]H)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5315	0.296	2	120.5315	0.088	2	120.4187	0.371	93	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.7670	0.000	1	119.7670	0.000	1	120.4187	0.371	93	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6050	0.000	1	120.6050	0.000	1	120.4187	0.371	93	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5,6,6]C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,5,6,6]C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9190	0.000	1	120.9697	0.003	3	120.4187	0.371	93	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5,6,6]C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,5,6,6]C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9950	0.047	2	120.9697	0.003	3	120.4187	0.371	93	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5,6]C[5])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5,6]C[5])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){3|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5360	0.081	2	120.5360	0.006	2	120.4187	0.371	93	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6470	0.000	1	120.6181	0.234	23	120.4187	0.371	93	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|F<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6675	0.132	2	120.6181	0.234	23	120.4187	0.371	93	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5437	0.154	3	120.6181	0.234	23	120.4187	0.371	93	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0150	0.000	1	120.6181	0.234	23	120.4187	0.371	93	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5980	0.049	2	120.6181	0.234	23	120.4187	0.371	93	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2700	0.000	1	120.6181	0.234	23	120.4187	0.371	93	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,2|O<2>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5810	1.681	2	120.6181	0.234	23	120.4187	0.371	93	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|O<2>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0395	1.097	2	120.6181	0.234	23	120.4187	0.371	93	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7017	0.043	3	120.6181	0.234	23	120.4187	0.371	93	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8090	0.000	1	120.6181	0.234	23	120.4187	0.371	93	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8030	0.000	1	120.6181	0.234	23	120.4187	0.371	93	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6650	0.000	1	120.6181	0.234	23	120.4187	0.371	93	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3880	0.000	1	120.6181	0.234	23	120.4187	0.371	93	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|Si<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5555	0.161	2	120.6181	0.234	23	120.4187	0.371	93	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2070	0.000	1	120.3185	0.025	2	120.4187	0.371	93	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4300	0.000	1	120.3185	0.025	2	120.4187	0.371	93	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4080	0.000	1	120.4080	0.000	1	120.4187	0.371	93	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|Se<1>,1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.8350	0.000	1	119.8350	0.000	1	120.4187	0.371	93	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5,5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,5]N[5,5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0590	0.055	2	121.0590	0.003	2	120.4187	0.371	93	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]P[5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|P<4>}	C[5,6a](C[5,5]C[5,5]P[5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7800	0.000	1	120.7800	0.000	1	120.4187	0.371	93	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]P[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,1|S<4>,2|C<3>}	C[5,6a](C[5,5]C[5,5]P[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6110	0.000	1	120.6370	0.001	2	120.4187	0.371	93	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]P[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,1|S<4>,2|C<3>}	C[5,6a](C[5,5]C[5,5]P[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6630	0.000	1	120.6370	0.001	2	120.4187	0.371	93	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]S[5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,1|S<4>,2|C<3>}	C[5,6a](C[5,5]C[5,5]S[5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5410	0.000	1	120.6920	0.046	2	120.4187	0.371	93	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]S[5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,1|S<4>,2|C<3>}	C[5,6a](C[5,5]C[5,5]S[5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8430	0.000	1	120.6920	0.046	2	120.4187	0.371	93	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]Se[5])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){2|Se<2>,1|C<4>,2|C<3>}	C[5,6a](C[5,5]C[5,5]Se[5])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3290	0.173	2	119.6744	0.644	5	120.4187	0.371	93	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]Se[5])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){2|Se<2>,1|H<1>,2|C<3>}	C[5,6a](C[5,5]C[5,5]Se[5])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.3870	0.991	2	119.6744	0.644	5	120.4187	0.371	93	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]Se[5])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){2|Se<2>,3|C<3>}	C[5,6a](C[5,5]C[5,5]Se[5])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	118.9400	0.000	1	119.6744	0.644	5	120.4187	0.371	93	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]Se[5])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Se<2>,1|Si<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,5]C[5,5]Se[5])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4945	0.023	2	120.4945	0.001	2	120.4187	0.371	93	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]Si[5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,5]C[5,5]Si[5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6235	0.062	2	120.4700	0.073	3	120.4187	0.371	93	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]Si[5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,5]C[5,5]Si[5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.1630	0.000	1	120.4700	0.073	3	120.4187	0.371	93	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]Si[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,5]C[5,5]Si[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7300	0.000	1	120.7300	0.000	1	120.4187	0.371	93	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6a]C[3x5])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0714	0.123	20	120.0714	0.015	20	120.4187	0.371	93	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2310	0.615	2	120.3513	0.233	3	120.4187	0.371	93	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|P<4>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5920	0.000	1	120.3513	0.233	3	120.4187	0.371	93	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4300	0.000	1	120.4300	0.000	1	120.4187	0.371	93	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5035	0.037	2	120.5035	0.001	2	120.4187	0.371	93	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]N[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8010	0.000	1	120.8010	0.000	1	120.4187	0.371	93	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,6a](C[5,5]N[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|O<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.3440	0.000	1	120.3440	0.000	1	120.4187	0.371	93	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]N[5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|B<4>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]N[5,5]N[5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9147	1.959	4	120.9147	3.838	4	120.4187	0.371	93	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]S[5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5,6a](C[5,5]N[5,5]S[5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8700	0.000	1	120.8700	0.000	1	120.4187	0.371	93	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]P[5,5,6]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|P<5>,2|C<3>}	C[5,6a](C[5,5]P[5,5,6]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3580	0.000	1	120.3580	0.000	1	120.4187	0.371	93	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]P[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|P<5>,2|C<3>}	C[5,6a](C[5,5]P[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.9870	0.000	1	119.6530	0.095	3	120.4187	0.371	93	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]P[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|P<5>,2|C<3>}	C[5,6a](C[5,5]P[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	119.4860	0.148	2	119.6530	0.095	3	120.4187	0.371	93	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5]C[5,5]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2270	0.000	1	121.2270	0.000	1	120.4187	0.371	93	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5]C[5,5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,5]C[5,5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|N<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2300	0.000	1	121.2300	0.000	1	120.4187	0.371	93	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5,6a](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H){1|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0530	0.000	1	121.0530	0.000	1	120.7302	0.304	109	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1340	0.000	1	121.1340	0.000	1	120.7302	0.304	109	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]C)(H)	C[5,6a](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5330	0.000	1	120.5330	0.000	1	120.7302	0.304	109	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,2|N<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3340	0.000	1	121.3340	0.000	1	120.7302	0.304	109	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5210	0.000	1	120.5004	0.379	18	120.7302	0.304	109	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|C<2>,4|C<3>}	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2050	0.000	1	120.5004	0.379	18	120.7302	0.304	109	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7445	0.127	2	120.5004	0.379	18	120.7302	0.304	109	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.6470	0.000	1	120.5004	0.379	18	120.7302	0.304	109	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|B<3>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7260	0.000	1	120.5004	0.379	18	120.7302	0.304	109	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2200	0.000	1	120.5004	0.379	18	120.7302	0.304	109	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|P<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5690	0.000	1	120.5004	0.379	18	120.7302	0.304	109	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8315	0.261	2	120.5004	0.379	18	120.7302	0.304	109	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2555	0.193	2	120.5004	0.379	18	120.7302	0.304	109	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4090	0.000	1	120.5004	0.379	18	120.7302	0.304	109	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.0530	0.000	1	120.5004	0.379	18	120.7302	0.304	109	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2240	0.777	3	120.5004	0.379	18	120.7302	0.304	109	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3230	0.000	1	120.5004	0.379	18	120.7302	0.304	109	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6140	0.000	1	120.6140	0.000	1	120.7302	0.304	109	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6430	0.000	1	120.6430	0.000	1	120.7302	0.304	109	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<2>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6710	0.000	1	120.7823	0.105	11	120.7302	0.304	109	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4650	0.000	1	120.7823	0.105	11	120.7302	0.304	109	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8665	0.039	2	120.7823	0.105	11	120.7302	0.304	109	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9470	0.000	1	120.7823	0.105	11	120.7302	0.304	109	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9776	0.076	5	120.7823	0.105	11	120.7302	0.304	109	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9010	0.000	1	120.7823	0.105	11	120.7302	0.304	109	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1990	0.000	1	121.1990	0.000	1	120.7302	0.304	109	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|Si<4>,1|C<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.0840	0.000	1	120.2293	0.039	8	120.7302	0.304	109	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3690	0.000	1	120.2293	0.039	8	120.7302	0.304	109	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3097	0.126	3	120.2293	0.039	8	120.7302	0.304	109	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.1507	0.286	3	120.2293	0.039	8	120.7302	0.304	109	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]O[5a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,5a]C[5,5a]O[5a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8570	0.117	2	120.8570	0.014	2	120.7302	0.304	109	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]O[5a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,5a]C[5,5a]O[5a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8290	0.000	1	120.8290	0.000	1	120.7302	0.304	109	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5410	0.231	2	120.5410	0.053	2	120.7302	0.304	109	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3240	0.000	1	121.3240	0.000	1	120.7302	0.304	109	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8280	0.000	1	120.9807	0.017	3	120.7302	0.304	109	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0570	0.000	2	120.9807	0.017	3	120.7302	0.304	109	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,1|S<2>,2|C<3>}	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6130	0.000	1	120.6943	0.005	3	120.7302	0.304	109	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,1|S<2>,2|C<3>}	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7350	0.025	2	120.6943	0.005	3	120.7302	0.304	109	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,1|S<4>,2|C<3>}	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	124.6640	0.000	1	121.8063	6.141	3	120.7302	0.304	109	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|N<3>,1|S<2>,1|S<4>,2|C<3>}	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3775	0.179	2	121.8063	6.141	3	120.7302	0.304	109	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2550	0.000	1	120.2550	0.000	1	120.7302	0.304	109	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5a,5a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,5a]C[5a,5a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|S<2>}	H(C[6a]C[5,6a]C[6a])	120.7730	0.269	2	120.7694	0.082	7	120.7302	0.304	109	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5a,5a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,5a]C[5a,5a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|S<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0080	0.000	2	120.7694	0.082	7	120.7302	0.304	109	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5a,5a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,5a]C[5a,5a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4695	0.337	2	120.7694	0.082	7	120.7302	0.304	109	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5a,5a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,5a]C[5a,5a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,2|S<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8850	0.000	1	120.7694	0.082	7	120.7302	0.304	109	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2740	0.000	1	120.2740	0.000	1	120.7302	0.304	109	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9010	0.000	1	119.9010	0.000	1	120.7302	0.304	109	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7060	0.000	1	120.7060	0.000	1	120.7302	0.304	109	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]N[5,5a,6]C[5a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5a]N[5,5a,6]C[5a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7660	0.000	1	120.7660	0.000	1	120.7302	0.304	109	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5780	0.117	2	120.5780	0.014	2	120.7302	0.304	109	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7935	0.138	10	120.8304	0.057	25	120.7302	0.304	109	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4523	0.203	3	120.8304	0.057	25	120.7302	0.304	109	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4270	0.000	1	120.8304	0.057	25	120.7302	0.304	109	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,2|N<2>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1035	0.054	4	120.8304	0.057	25	120.7302	0.304	109	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7920	0.000	1	120.8304	0.057	25	120.7302	0.304	109	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8190	0.000	1	120.8304	0.057	25	120.7302	0.304	109	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9980	0.148	3	120.8304	0.057	25	120.7302	0.304	109	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0110	0.048	2	120.8304	0.057	25	120.7302	0.304	109	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,6a](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5380	0.161	2	120.5380	0.026	2	120.7302	0.304	109	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9990	0.000	1	120.9990	0.000	1	120.7302	0.304	109	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0240	0.094	4	121.0240	0.009	4	120.7302	0.304	109	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0130	0.161	2	121.0130	0.026	2	120.7302	0.304	109	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]N)(H)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]N)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|Si<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.9650	0.000	1	119.9650	0.000	1	120.7302	0.304	109	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]O)(H){1|O<2>,4|C<3>}	C[5,6a](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,1|S<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8750	0.000	1	120.8750	0.000	1	120.7302	0.304	109	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6,6]C[5,3x6]C[5,6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.0708	0.133	6	121.0708	0.018	6	121.0708	0.018	6	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0700	0.000	1	121.0700	0.000	1	121.0700	0.000	1	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]C[5,6a])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]C[5,6a])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5120	0.025	2	120.5120	0.001	2	120.9218	0.097	16	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2047	0.171	6	120.9803	0.082	14	120.9218	0.097	16	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7945	0.612	2	120.9803	0.082	14	120.9218	0.097	16	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8178	0.057	6	120.9803	0.082	14	120.9218	0.097	16	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6a]C[5,6,6]C[6,6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6,6a]C[5,6,6]C[6,6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	121.2065	0.149	2	121.0823	0.036	6	121.0823	0.036	6	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6a]C[5,6,6]C[6,6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6,6a]C[5,6,6]C[6,6a])(C[5]C[5,6]O)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0203	0.194	4	121.0823	0.036	6	121.0823	0.036	6	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]N){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1820	0.067	3	121.1820	0.005	3	121.0899	0.074	13	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1997	0.134	3	121.1997	0.018	3	121.0899	0.074	13	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.3720	0.000	1	121.3720	0.000	1	121.0899	0.074	13	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8012	0.191	4	120.8012	0.036	4	121.0899	0.074	13	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6a]C[6,6a]P[5,6])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6,6a]C[6,6a]P[5,6])(C[6a]C[6a]H)(C[5]C[5]H){1|Si<4>,1|H<1>,1|P<3>,1|W<6>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8880	0.000	1	120.8880	0.000	1	121.0899	0.074	13	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	121.5590	0.000	1	121.5590	0.000	1	121.0899	0.074	13	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6a]C[3,5,6]C[6,6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6,6a]C[3,5,6]C[6,6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.6105	0.047	2	121.6105	0.002	2	121.7354	0.043	13	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	121.8320	0.291	2	121.8320	0.085	2	121.7354	0.043	13	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	122.1950	0.000	1	121.7417	0.048	9	121.7354	0.043	13	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8400	0.123	2	121.7417	0.048	9	121.7354	0.043	13	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	121.6423	0.071	3	121.7417	0.048	9	121.7354	0.043	13	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4270	0.000	1	121.7417	0.048	9	121.7354	0.043	13	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.7230	0.054	2	121.7417	0.048	9	121.7354	0.043	13	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2240	0.000	1	121.2240	0.000	1	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5780	0.000	1	120.0175	0.628	2	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	119.4570	0.000	1	120.0175	0.628	2	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2470	0.000	1	119.9682	0.021	6	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Zr<12>,1|H<1>,2|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	119.8740	0.000	1	119.9682	0.021	6	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Zr<8>,1|H<1>,2|C<4>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.9010	0.000	1	119.9682	0.021	6	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Zr<9>,1|H<1>,2|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	119.9400	0.103	2	119.9682	0.021	6	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Zr<9>,1|H<1>,2|C<4>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.9070	0.000	1	119.9682	0.021	6	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	120.4470	0.000	1	120.4470	0.000	1	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0920	0.000	1	120.7824	0.045	5	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7050	0.142	4	120.7824	0.045	5	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	120.9480	0.000	1	120.9480	0.000	1	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	121.4020	0.000	1	121.4020	0.000	1	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|F<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5620	0.066	2	121.5620	0.004	2	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6]Si[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)(H){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6]Si[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|F<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6830	0.000	1	120.6830	0.000	1	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,5,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,5,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9045	0.118	2	120.9045	0.014	2	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6,6]C[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6,6]C[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7920	0.280	2	120.7920	0.078	2	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6,6]C[6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6,6]C[6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|Ru<11>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2250	0.000	1	121.2250	0.000	1	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7705	0.371	4	120.7705	0.138	4	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2580	0.000	1	120.3115	0.006	2	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3650	0.000	1	120.3115	0.006	2	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	123.6820	0.000	1	120.6441	0.469	27	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.6870	0.000	1	120.6441	0.469	27	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4250	0.000	1	120.6441	0.469	27	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|S<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6370	0.000	1	120.6441	0.469	27	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|P<4>,3|H<1>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	120.6680	0.000	1	120.6441	0.469	27	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6400	0.000	1	120.6441	0.469	27	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,4|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6150	0.219	2	120.6441	0.469	27	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6835	0.087	2	120.6441	0.469	27	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|P<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0180	0.000	1	120.6441	0.469	27	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5360	0.000	1	120.6441	0.469	27	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6633	0.033	3	120.6441	0.469	27	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Os<5>,1|Os<6>,1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.6965	0.009	2	120.6441	0.469	27	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6465	0.086	2	120.6441	0.469	27	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1235	0.166	2	120.6441	0.469	27	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,3|H<1>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	120.7860	0.000	1	120.6441	0.469	27	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7860	0.000	1	120.6441	0.469	27	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>,3|N<3>}	H(C[6a]C[5,6a]C[6a])	120.8030	0.000	1	120.6441	0.469	27	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4370	0.255	2	120.6441	0.469	27	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3290	0.000	1	120.6441	0.469	27	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	122.2910	2.571	2	120.6033	1.522	12	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4980	0.000	1	120.6033	1.522	12	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6060	0.000	1	120.6033	1.522	12	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7080	0.000	1	120.6033	1.522	12	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3640	0.198	2	120.6033	1.522	12	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	119.8460	0.000	1	120.6033	1.522	12	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5450	0.000	1	120.6033	1.522	12	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Al<5>,1|H<1>,3|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.2940	0.000	1	120.6033	1.522	12	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	118.7140	0.000	1	120.6033	1.522	12	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7180	0.000	1	120.6033	1.522	12	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8840	0.000	1	120.8840	0.000	1	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|S<4>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	120.2065	0.091	2	120.2065	0.008	2	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]N[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]N[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3530	0.000	1	121.3530	0.000	1	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]N[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6]C[5,6]N[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6322	0.101	4	120.6322	0.010	4	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1310	0.000	1	120.8618	0.175	17	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4940	0.000	1	120.8618	0.175	17	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7930	0.136	2	120.8618	0.175	17	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6395	0.648	2	120.8618	0.175	17	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8997	0.069	6	120.8618	0.175	17	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7526	0.311	5	120.8618	0.175	17	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9030	0.000	1	121.3187	0.111	11	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3883	0.418	6	121.3187	0.111	11	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3183	0.110	4	121.3187	0.111	11	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]P[6,6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,1|S<4>,2|C<3>}	C[5,6a](C[5,6]C[5,6]P[6,6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,3|O<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3090	0.192	2	120.3090	0.037	2	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]Se[6])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){2|Se<2>,1|H<1>,2|C<3>}	C[5,6a](C[5,6]C[5,6]Se[6])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H){1|Se<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2545	0.170	2	120.2545	0.029	2	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5490	0.000	1	120.7040	0.048	2	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8590	0.000	1	120.7040	0.048	2	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4772	0.328	4	120.4772	0.108	4	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3460	0.000	1	120.6415	0.065	18	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){2|Cl<1>,1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9000	0.000	1	120.6415	0.065	18	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|F<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6820	0.047	2	120.6415	0.065	18	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6680	0.000	1	120.6415	0.065	18	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6346	0.148	9	120.6415	0.065	18	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|B<4>,2|C<3>,2|N<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3895	0.187	4	120.6415	0.065	18	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0910	0.000	1	121.0490	0.096	23	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|B<4>,1|C<2>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3803	0.200	4	121.0490	0.096	23	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|B<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3425	0.155	4	121.0490	0.096	23	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6475	0.046	2	121.0490	0.096	23	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0747	0.094	6	121.0490	0.096	23	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8430	0.000	1	121.0490	0.096	23	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8730	0.000	1	121.0490	0.096	23	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7480	0.294	2	121.0490	0.096	23	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5955	0.033	2	121.0490	0.096	23	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4028	0.548	6	120.4249	0.261	13	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5243	0.520	6	120.4249	0.261	13	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	119.9610	0.000	1	120.4249	0.261	13	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,2|N<3>}	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0600	0.000	1	121.0600	0.000	1	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|B<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4330	0.137	6	121.4330	0.019	6	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<4>}	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	120.7770	0.000	1	120.7770	0.000	1	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]N[5a])(H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]N[5a])(H){2|N<3>,5|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|B<4>,1|C<2>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7570	0.000	1	120.7570	0.000	1	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6]C[5,6,6]C[6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6,6]C[6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6820	0.000	1	120.6820	0.000	1	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	121.2950	0.000	1	121.2950	0.000	1	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|B<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4610	0.129	2	121.4610	0.017	2	120.7683	0.346	183	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:As[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]As[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(As[5]C[6a]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]As[5])(C[6a]C[5,6a]H)(H){1|C<4>,1|P<3>,3|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(As[5]C[6a]P[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	118.8705	0.090	2	118.8163	0.013	3	118.8163	0.013	3	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:As[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]As[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(As[5]C[6a]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]As[5])(C[6a]C[5,6a]H)(H){1|C<4>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(As[5]C[6a]P[5])(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	118.7080	0.000	1	118.8163	0.013	3	118.8163	0.013	3	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:B[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[5]C[6]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]B[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[5]C[6]P[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	119.1370	0.000	1	119.1370	0.000	1	119.4943	0.109	3	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:B[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[5]C[6a]B[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]B[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[5]C[6a]B[5])(C[6a]C[6a]H){1|H<1>,2|P<4>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.7900	0.000	1	119.7900	0.000	1	119.4943	0.109	3	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:B[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[5]C[6a]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[5]C[6a]P[5])(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.5560	0.000	1	119.5560	0.000	1	119.4943	0.109	3	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[5,6a]H)(H){1|N<3>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.6900	0.150	2	119.6900	0.022	2	120.8436	0.448	84	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7110	0.086	2	120.6404	0.017	7	120.8436	0.448	84	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5940	0.000	1	120.6404	0.017	7	120.8436	0.448	84	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6020	0.195	3	120.6404	0.017	7	120.8436	0.448	84	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6610	0.000	1	120.6404	0.017	7	120.8436	0.448	84	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9395	0.086	2	120.8977	0.463	74	120.8436	0.448	84	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|Ga<3>,1|H<1>,1|N<3>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6430	0.171	3	120.8977	0.463	74	120.8436	0.448	84	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|Ga<4>,1|H<1>,1|N<3>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7052	0.226	25	120.8977	0.463	74	120.8436	0.448	84	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|Ga<6>,1|H<1>,1|N<3>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9574	0.145	9	120.8977	0.463	74	120.8436	0.448	84	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|P<2>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1761	1.023	14	120.8977	0.463	74	120.8436	0.448	84	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|S<2>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9590	0.154	2	120.8977	0.463	74	120.8436	0.448	84	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0288	1.106	14	120.8977	0.463	74	120.8436	0.448	84	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|In<6>,1|H<1>,1|N<3>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7178	0.192	5	120.8977	0.463	74	120.8436	0.448	84	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5a]C[5,5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5a]C[5,5])(C[6a]C[6a]H){1|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5730	0.000	1	120.5730	0.000	1	120.8436	0.448	84	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,5a])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,5a])(C[6a]C[5,6a]H)(H){1|N<3>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]H){1|B<3>,1|H<1>,1|N<3>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.5725	0.383	2	119.5725	0.146	2	120.7329	0.161	39	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,5a])(C[6a]C[6,6a]H)(H)	C[5,6a](C[5,6a,6a]C[6,6a,6a]C[5,6a])(C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,5a])(C[6a]C[6,6a]H)(H){5|C<3>}	C[5,6a](C[5,6a,6a]C[6,6a,6a]C[5,6a])(C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3410	0.069	2	120.3410	0.005	2	120.7329	0.161	39	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]H){1|As<2>,1|H<1>,1|N<3>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7661	0.208	8	120.8288	0.083	33	120.7329	0.161	39	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]H){1|B<3>,1|H<1>,1|N<3>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8252	0.313	23	120.8288	0.083	33	120.7329	0.161	39	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]N[5a])(C[6a]C[6a]H){1|B<4>,1|H<1>,1|N<3>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1200	0.071	2	120.8288	0.083	33	120.7329	0.161	39	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]S[5a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7120	0.000	1	120.7120	0.000	1	120.7329	0.161	39	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5a,5a]C[5,5a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5a,5a]C[5,5a])(C[6a]C[6a]H){1|H<1>,1|S<2>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6940	0.000	1	120.6940	0.000	1	120.7329	0.161	39	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4910	0.000	1	120.4910	0.000	1	120.8114	0.340	17	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7827	0.110	3	120.6651	0.049	9	120.8114	0.340	17	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]2)(C[6a]C[6a]H){1|H<1>,3|C<4>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6063	0.249	6	120.6651	0.049	9	120.8114	0.340	17	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7503	0.256	3	120.7096	0.106	5	120.8114	0.340	17	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0220	0.000	1	120.7096	0.106	5	120.8114	0.340	17	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2750	0.000	1	120.7096	0.106	5	120.8114	0.340	17	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]O[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]O[6])(C[6a]C[6a]H){1|Ga<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8920	0.000	1	120.8920	0.000	1	120.8114	0.340	17	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]S[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]S[6])(C[6a]C[6a]H){1|H<1>,1|S<2>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	122.8760	0.000	1	122.8760	0.000	1	120.8114	0.340	17	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[5,6a]H)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.6532	0.302	4	119.6532	0.091	4	120.6845	0.405	219	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[5a,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[5a,6a]H)(H){5|C<3>}	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.4090	0.000	1	119.4090	0.000	1	120.6845	0.405	219	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.0945	0.239	6	120.9387	0.669	27	120.6845	0.405	219	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5,6a](C[5,6a,6a]C[3x6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1800	0.762	21	120.9387	0.669	27	120.6845	0.405	219	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]C)(H){1|C<2>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<2>,1|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6380	0.000	1	120.0701	0.064	9	120.6845	0.405	219	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.9991	0.146	8	120.0701	0.064	9	120.6845	0.405	219	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(C[5,6a]C[5,6,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(C[5,6a]C[5,6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6475	0.175	2	120.6475	0.031	2	120.6845	0.405	219	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9630	0.000	1	120.9630	0.000	1	120.6845	0.405	219	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5350	0.000	1	120.5350	0.000	1	120.6845	0.405	219	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7600	0.000	1	120.6889	0.380	142	120.6845	0.405	219	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|F<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7740	0.000	1	120.6889	0.380	142	120.6845	0.405	219	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8522	0.109	4	120.6889	0.380	142	120.6845	0.405	219	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5435	0.247	2	120.6889	0.380	142	120.6845	0.405	219	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7840	0.000	1	120.6889	0.380	142	120.6845	0.405	219	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7582	0.533	18	120.6889	0.380	142	120.6845	0.405	219	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7767	0.706	45	120.6889	0.380	142	120.6845	0.405	219	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9740	0.000	1	120.6889	0.380	142	120.6845	0.405	219	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8752	0.417	50	120.6889	0.380	142	120.6845	0.405	219	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|N<3>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3650	0.651	4	120.6889	0.380	142	120.6845	0.405	219	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.7479	0.229	15	120.6889	0.380	142	120.6845	0.405	219	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0042	0.348	17	120.9625	0.102	22	120.6845	0.405	219	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H){1|H<1>,2|N<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8900	0.127	3	120.9625	0.102	22	120.6845	0.405	219	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|N<2>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7160	0.089	2	120.9625	0.102	22	120.6845	0.405	219	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5a,6a]C[5,6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4650	0.000	1	120.4650	0.000	1	120.6845	0.405	219	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3570	0.204	6	120.3570	0.041	6	120.6845	0.405	219	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8240	0.208	2	120.8240	0.043	2	120.6845	0.405	219	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]O[6a]O)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[6a]O[6a]O)(H){4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.8670	0.000	1	119.8670	0.000	1	120.6845	0.405	219	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H){1|C<4>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5695	0.173	2	120.5695	0.030	2	121.0987	0.176	91	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8990	0.000	1	120.8990	0.000	1	121.0987	0.176	91	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[3,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[3,5]O)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1175	0.107	2	121.1175	0.011	2	121.0987	0.176	91	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7350	0.052	2	120.7350	0.003	2	121.0987	0.176	91	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]N)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]N)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9745	0.067	2	120.9745	0.005	2	121.0987	0.176	91	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0872	0.209	61	121.0909	0.043	63	121.0987	0.176	91	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2040	0.110	2	121.0909	0.043	63	121.0987	0.176	91	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2385	0.093	4	121.2556	0.058	7	121.0987	0.176	91	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.7410	0.000	1	121.2556	0.058	7	121.0987	0.176	91	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0640	0.000	1	121.2556	0.058	7	121.0987	0.176	91	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0300	0.000	1	121.2556	0.058	7	121.0987	0.176	91	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]C[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	122.2130	0.000	1	121.0972	0.563	5	121.0987	0.176	91	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]C[6])(C[6a]C[6a]H){1|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8183	0.482	4	121.0972	0.563	5	121.0987	0.176	91	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|S<2>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7170	0.000	1	120.7170	0.000	1	121.0987	0.176	91	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	124.0600	0.000	1	121.4288	1.720	6	121.0987	0.176	91	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0078	0.155	4	121.4288	1.720	6	121.0987	0.176	91	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4820	0.000	1	121.4288	1.720	6	121.0987	0.176	91	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(B[5]P[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(B[5]P[5]N){1|H<1>,2|C<4>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	118.9860	0.000	1	119.2365	0.126	2	119.2365	0.126	2	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(B[5]P[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(B[5]P[5]N){1|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.4870	0.000	1	119.2365	0.126	2	119.2365	0.126	2	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]C){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.4066	0.174	8	119.4066	0.030	8	120.7984	0.374	393	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.7030	0.140	2	119.7030	0.020	2	120.7984	0.374	393	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]2)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]2){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2820	0.071	2	120.2820	0.005	2	120.7984	0.374	393	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]Br)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]Br){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3980	0.000	1	120.3980	0.000	1	120.7984	0.374	393	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]C){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0195	0.486	2	121.0195	0.236	2	120.7984	0.374	393	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4950	0.206	2	121.2395	1.482	11	120.7984	0.374	393	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6435	0.443	2	121.2395	1.482	11	120.7984	0.374	393	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	122.7203	1.488	3	121.2395	1.482	11	120.7984	0.374	393	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<4>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3890	0.000	1	121.2395	1.482	11	120.7984	0.374	393	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6170	0.387	2	121.2395	1.482	11	120.7984	0.374	393	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.5740	0.000	1	121.2395	1.482	11	120.7984	0.374	393	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8143	0.215	8	120.8133	0.300	344	120.7984	0.374	393	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|O<2>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6760	0.000	1	120.8133	0.300	344	120.7984	0.374	393	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|Ni<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0010	0.000	1	120.8133	0.300	344	120.7984	0.374	393	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8500	0.000	1	120.8133	0.300	344	120.7984	0.374	393	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|O<3>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1040	0.126	2	120.8133	0.300	344	120.7984	0.374	393	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6321	0.873	26	120.8133	0.300	344	120.7984	0.374	393	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9188	0.206	4	120.8133	0.300	344	120.7984	0.374	393	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7421	0.250	9	120.8133	0.300	344	120.7984	0.374	393	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3890	0.128	3	120.8133	0.300	344	120.7984	0.374	393	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8227	0.535	283	120.8133	0.300	344	120.7984	0.374	393	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<4>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9350	0.076	2	120.8133	0.300	344	120.7984	0.374	393	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7970	0.071	2	120.8133	0.300	344	120.7984	0.374	393	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<4>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]N){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6445	0.122	2	120.8133	0.300	344	120.7984	0.374	393	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]O){1|H<1>,1|O<2>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2570	0.000	1	120.9876	0.049	14	120.7984	0.374	393	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]O){1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0252	0.227	9	120.9876	0.049	14	120.7984	0.374	393	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]O){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0200	0.000	1	120.9876	0.049	14	120.7984	0.374	393	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]O){1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7743	0.057	3	120.9876	0.049	14	120.7984	0.374	393	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]S){1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0420	0.000	1	121.0420	0.000	1	120.7984	0.374	393	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.7780	0.000	1	121.5135	0.140	2	120.7984	0.374	393	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]N[5]O){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2490	0.000	1	121.5135	0.140	2	120.7984	0.374	393	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]Si[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]Si[5]C){1|H<1>,2|C<4>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.5670	0.214	2	119.5670	0.046	2	120.7984	0.374	393	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]N[6a])(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]N[6a])(H){1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|N<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3810	0.000	1	121.3810	0.000	1	120.7984	0.374	393	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]O){3|C<3>,3|O<2>}	H(C[6a]C[5,6a]C[6a])	121.0780	0.000	1	121.0780	0.000	1	120.7984	0.374	393	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]O[5]O){1|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3560	0.000	1	121.3560	0.000	1	120.7984	0.374	393	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]N[6a]C)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]N[6a]C)(H){1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|N<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.8590	0.000	1	121.8590	0.000	1	120.7984	0.374	393	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4620	0.000	1	121.6750	0.081	9	121.5892	0.135	12	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.6588	0.242	5	121.6750	0.081	9	121.5892	0.135	12	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	122.1630	0.000	1	121.6750	0.081	9	121.5892	0.135	12	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.5780	0.334	2	121.6750	0.081	9	121.5892	0.135	12	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]H){1|H<1>,1|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.6395	0.026	2	121.6395	0.001	2	121.5892	0.135	12	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]Se[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]Se[5]C){1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7160	0.000	1	120.7160	0.000	1	121.5892	0.135	12	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:P[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]As[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H){1|As<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]As[5]C){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	118.6090	0.033	2	118.6090	0.001	2	119.2756	0.322	10	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:P[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H){1|P<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]C){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	118.8470	0.000	1	118.8470	0.000	1	119.2756	0.322	10	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:P[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]Cl)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H){1|Cl<1>,1|C<4>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]Cl){1|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.1760	0.000	1	119.1760	0.000	1	119.2756	0.322	10	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:P[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]Te)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H){1|Te<1>,1|C<4>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]Te){1|H<1>,2|C<4>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	118.7730	0.000	1	118.7730	0.000	1	119.2756	0.322	10	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:P[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]2)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]2){1|H<1>,1|N<3>,1|O<1>,1|P<4>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.4710	0.000	1	119.5597	0.009	3	119.2756	0.322	10	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:P[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]2)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]2){1|H<1>,1|P<4>,2|N<3>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.6610	0.000	1	119.5597	0.009	3	119.2756	0.322	10	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:P[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]2)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]2){1|Se<1>,1|H<1>,1|O<2>,1|P<4>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.5470	0.000	1	119.5597	0.009	3	119.2756	0.322	10	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:P[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]I)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|I<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]I){1|H<1>,2|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3120	0.000	1	120.3120	0.000	1	119.2756	0.322	10	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:P[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]N){1|H<1>,2|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.7510	0.000	1	119.7510	0.000	1	119.2756	0.322	10	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.0100	0.000	1	120.0100	0.000	1	121.0743	0.527	4	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4290	0.186	3	121.4290	0.035	3	121.0743	0.527	4	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:P[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(P[5]C[5]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H){1|P<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(P[5]C[5]P[5])(C[6a]C[6a]H){1|Fe<10>,1|H<1>,3|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	119.0140	0.000	1	119.0140	0.000	1	119.9363	0.964	6	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:P[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(P[5]C[6a]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H){1|C<4>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(P[5]C[6a]P[5])(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	118.4800	0.000	1	118.4800	0.000	1	119.9363	0.964	6	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:P[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(P[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(P[5]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5310	0.380	4	120.5310	0.144	4	119.9363	0.964	6	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:As[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]As[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(As[5]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]As[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(As[5]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.8635	0.773	6	119.8635	0.597	6	119.9996	0.493	8	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:As[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]As[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(As[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]As[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(As[5]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4080	0.130	2	120.4080	0.017	2	119.9996	0.493	8	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]B[5,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5,6a]N[5,6a]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]B[5,6a]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5,6a]N[5,6a]2)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|B<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9553	0.105	3	119.9553	0.011	3	119.9553	0.011	3	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	118.5927	0.379	3	118.5927	0.143	3	119.8551	0.185	58	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(B[5]C[5,5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(B[5]C[5,5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.7810	0.000	1	119.7190	0.012	3	119.8551	0.185	58	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(B[5]C[5,5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(B[5]C[5,5a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.5900	0.000	1	119.7190	0.012	3	119.8551	0.185	58	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(B[5]C[5,5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(B[5]C[5,5a]C[6a])(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.7860	0.000	1	119.7190	0.012	3	119.8551	0.185	58	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]Br)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]Br)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.0392	0.566	6	120.0392	0.320	6	119.8551	0.185	58	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.8275	0.452	2	119.8275	0.204	2	119.8551	0.185	58	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[5])(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.9845	0.127	2	119.9845	0.016	2	119.8551	0.185	58	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.7845	0.416	2	119.8989	0.099	19	119.8551	0.185	58	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.9881	0.241	15	119.8989	0.099	19	119.8551	0.185	58	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.3440	0.164	2	119.8989	0.099	19	119.8551	0.185	58	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]Cl)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]Cl)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1295	0.320	2	120.1295	0.103	2	119.8551	0.185	58	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]N)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.6890	0.124	2	119.6890	0.015	2	119.8551	0.185	58	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.8090	0.249	6	119.8090	0.062	6	119.8551	0.185	58	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9390	0.000	1	120.0400	0.043	12	119.8551	0.185	58	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.0635	0.322	2	120.0400	0.043	12	119.8551	0.185	58	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1233	0.101	6	120.0400	0.043	12	119.8551	0.185	58	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.8913	0.315	3	120.0400	0.043	12	119.8551	0.185	58	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(B[5]C[5,5]N)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(B[5]C[5,5]N)(C[6a]C[6a]H){1|C<3>,1|H<1>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	119.7500	0.000	1	119.7500	0.000	1	119.8551	0.185	58	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]C[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4320	0.000	1	120.4320	0.000	1	120.5258	0.084	26	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H){2|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6740	0.000	1	120.6740	0.000	1	120.5258	0.084	26	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[5,5]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[5,5]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9705	0.310	2	120.9705	0.096	2	120.5258	0.084	26	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9630	0.000	1	120.5574	0.033	11	120.5258	0.084	26	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2)(C[6a]C[6a]H){1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4095	0.005	2	120.5574	0.033	11	120.5258	0.084	26	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2)(C[6a]C[6a]H){1|Si<4>,1|P<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4190	0.120	2	120.5574	0.033	11	120.5258	0.084	26	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2)(C[6a]C[6a]H){1|Si<4>,1|S<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6345	0.071	2	120.5574	0.033	11	120.5258	0.084	26	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2)(C[6a]C[6a]H){2|Si<4>,1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5605	0.127	4	120.5574	0.033	11	120.5258	0.084	26	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5,5]C[5,5]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5,5]C[5,5]2)(C[6a]C[6a]H){2|H<1>,2|O<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6105	0.093	2	120.6105	0.009	2	120.5258	0.084	26	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Se<2>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|Se<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.8330	0.270	2	119.8330	0.073	2	120.5258	0.084	26	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[5,5]N[5,5]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[5,5]N[5,5]O[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6207	0.176	3	120.6207	0.031	3	120.5258	0.084	26	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[5,5]C[5,5]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[5,5]C[5,5]P[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4575	0.052	2	120.3860	0.017	3	120.5258	0.084	26	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[5,5]C[5,5]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[5,5]C[5,5]P[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.2430	0.000	1	120.3860	0.017	3	120.5258	0.084	26	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[5,5]C[5,5]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[5,5]C[5,5]S[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5860	0.000	1	120.5860	0.000	1	120.5258	0.084	26	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[5,5a]N[5,5a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a,6a]H)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[5,5a]N[5,5a]N[5a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0040	0.000	1	121.0040	0.000	1	120.6223	0.109	3	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5a]C[5,5a]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5a]C[5,5a]2)(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4315	0.011	2	120.4315	0.000	2	120.6223	0.109	3	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2080	0.136	2	120.4868	0.062	6	120.5665	0.259	28	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6890	0.044	2	120.4868	0.062	6	120.5665	0.259	28	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|Se<2>,1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5635	0.202	2	120.4868	0.062	6	120.5665	0.259	28	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2)(C[6a]C[6a]H){2|Cl<1>,2|C<4>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0210	0.000	1	121.0210	0.000	1	120.5665	0.259	28	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,6]N[5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,6]N[5,6]C[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8380	0.000	1	120.8380	0.000	1	120.5665	0.259	28	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]B[5,6a]C[6a])(C[5,6]N[5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]B[5,6a]C[6a])(C[5,6]N[5,6]C[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9120	0.117	2	120.9120	0.014	2	120.5665	0.259	28	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5,6]C[5,6]2)(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7300	0.146	2	120.7300	0.021	2	120.5665	0.259	28	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<2>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.9410	0.000	1	121.9410	0.000	1	120.5665	0.259	28	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9737	0.051	4	120.7974	0.123	7	120.5665	0.259	28	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.3145	0.268	2	120.7974	0.123	7	120.5665	0.259	28	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0580	0.000	1	120.7974	0.123	7	120.5665	0.259	28	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5,6]C[5,6]2)(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.0675	0.168	2	119.9096	0.033	5	120.5665	0.259	28	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5,6]C[5,6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5,6]C[5,6]2)(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	119.8043	0.103	3	119.9096	0.033	5	120.5665	0.259	28	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]Ge[5,3x6]C[6a])(C[5,6]C[5,3x6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|Ge<4>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]Ge[5,3x6]C[6a])(C[5,6]C[5,3x6]C[6])(C[6a]C[6a]H){1|H<1>,3|C<4>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.8520	0.000	1	119.8520	0.000	1	120.5665	0.259	28	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]I)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]I)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|I<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7540	0.000	1	120.4380	0.200	2	120.5665	0.259	28	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]I)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]I)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|I<1>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1220	0.000	1	120.4380	0.200	2	120.5665	0.259	28	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[5,6a]H)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3903	0.286	4	120.3903	0.082	4	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[5a,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[5a,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	119.9360	0.000	1	119.9360	0.000	1	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[5a]C[6a])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[5a]C[6a])(H){1|H<1>,1|S<2>,1|S<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.0510	0.000	1	120.0510	0.000	1	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]C)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H){1|H<1>,3|C<4>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.6330	0.000	1	119.6330	0.000	1	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4293	0.238	3	120.3872	0.032	5	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3240	0.035	2	120.3872	0.032	5	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6503	0.414	7	120.6121	0.109	12	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4940	0.000	1	120.6121	0.109	12	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6340	0.000	1	120.6121	0.109	12	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5550	0.260	3	120.6121	0.109	12	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H){1|P<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]P[5])(C[6a]C[6a]H){1|S<1>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3780	0.000	1	120.3780	0.000	1	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7290	0.000	1	121.0650	0.226	2	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4010	0.000	1	121.0650	0.226	2	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3260	0.000	1	120.3370	0.000	2	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H){1|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3480	0.000	1	120.3370	0.000	2	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]Se[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H){1|Se<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]Se[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.8590	0.000	1	119.8590	0.000	1	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]Si[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]H)(H){1|Si<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]Si[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.2055	0.528	4	119.2055	0.279	4	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]O)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]O)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H){1|O<2>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2530	0.000	1	120.2530	0.000	1	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.0940	0.059	2	120.0940	0.004	2	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	119.1880	0.000	1	119.8076	0.135	5	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.9625	0.141	4	119.8076	0.135	5	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,1|S<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1275	0.309	2	119.9342	0.043	6	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(H){1|H<1>,1|S<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.8375	0.045	4	119.9342	0.043	6	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(H){1|Si<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	119.3580	0.000	1	119.5940	0.050	3	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(H){1|Si<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|Cl<1>,1|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.8040	0.000	1	119.5940	0.050	3	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(H){1|Si<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|Si<4>,1|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.6200	0.000	1	119.5940	0.050	3	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]2)(H){1|Si<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H){1|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	119.5520	0.000	1	119.5520	0.000	1	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5950	2.076	2	120.7647	0.890	6	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Br)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8495	0.134	4	120.7647	0.890	6	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Br)(H){1|B<3>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3185	0.175	2	121.3185	0.031	2	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Br)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0658	0.404	9	121.2589	0.878	13	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Br)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|Br<1>,1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	122.2435	2.623	2	121.2589	0.878	13	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Br)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1435	0.233	2	121.2589	0.878	13	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Br)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7873	0.068	4	120.7873	0.005	4	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1170	0.000	1	120.1170	0.000	1	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3040	0.000	1	120.3040	0.000	1	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0193	0.316	3	119.8124	0.231	13	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	118.9720	0.000	1	119.8124	0.231	13	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	119.4787	0.150	3	119.8124	0.231	13	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.4860	0.033	2	119.8124	0.231	13	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6900	0.000	1	119.8124	0.231	13	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.0765	0.114	2	119.8124	0.231	13	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H){5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2800	0.000	1	119.8124	0.231	13	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.4950	0.216	2	119.8877	0.486	3	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<4>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6730	0.000	1	119.8877	0.486	3	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|P<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	119.9950	0.069	2	120.0200	0.003	4	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|Fe<5>,1|H<1>,3|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.0810	0.000	1	120.0200	0.003	4	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|Ru<9>,1|H<1>,3|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.0090	0.000	1	120.0200	0.003	4	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|S<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Ru<8>,1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.0585	0.548	4	120.0585	0.300	4	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]C[5])(H){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4670	0.000	1	120.4670	0.000	1	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8390	0.099	2	120.8390	0.010	2	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.5380	0.065	2	121.5380	0.004	2	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|F<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.5060	0.107	2	121.5060	0.012	2	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6190	0.000	1	121.6638	0.027	6	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(H){1|F<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3810	0.000	1	121.6638	0.027	6	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|F<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.7458	0.097	4	121.6638	0.027	6	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]F)(H){1|H<1>,1|S<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|F<1>,1|N<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4720	0.051	2	121.4720	0.003	2	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]B[5,5a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]B[5,5a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4130	0.061	4	120.4130	0.004	4	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1745	0.513	2	120.4640	0.104	29	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6415	0.029	2	120.4640	0.104	29	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4730	0.318	25	120.4640	0.104	29	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<2>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6410	0.000	1	120.7685	0.051	13	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0665	0.260	2	120.7685	0.051	13	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6452	0.099	5	120.7685	0.051	13	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7982	0.238	5	120.7685	0.051	13	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3459	0.468	11	120.3459	0.219	11	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2345	0.241	6	120.2345	0.058	6	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3950	0.000	1	119.9462	0.917	9	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.8901	1.008	8	119.9462	0.917	9	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1485	0.281	2	120.5279	0.479	117	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6850	0.000	1	120.5279	0.479	117	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5995	0.198	4	120.5279	0.479	117	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5310	0.714	109	120.5279	0.479	117	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){5|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5060	0.000	1	120.5279	0.479	117	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4030	0.000	1	120.4030	0.000	1	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]As[5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|As<3>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]As[5]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.0038	0.296	6	120.1388	0.435	28	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]As[5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|As<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]As[5]C[6a])(C[6a]C[6a]H){1|Pd<4>,1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2640	0.161	2	120.1388	0.435	28	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]As[5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|As<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]As[5]C[6a])(C[6a]C[6a]H){1|Pd<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.0745	0.074	2	120.1388	0.435	28	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]As[5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|As<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]As[5]C[6a])(C[6a]C[6a]H){1|Pt<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1770	0.808	18	120.1388	0.435	28	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1570	0.047	2	120.2300	0.912	6	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H){1|N<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1200	2.110	2	120.2300	0.912	6	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H){1|P<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4130	0.044	2	120.2300	0.912	6	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|P<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3790	0.082	2	120.4861	0.081	20	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5226	0.357	12	120.4861	0.081	20	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H){2|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4490	0.126	6	120.4861	0.081	20	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Br[5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Br<2>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Br[5]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4005	0.088	2	120.4005	0.008	2	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3020	0.000	1	120.4121	0.543	15	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5434	1.096	7	120.4121	0.543	15	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2964	0.169	7	120.4121	0.543	15	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3870	0.623	4	120.5433	0.196	8	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H){1|Ge<4>,1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6010	0.000	1	120.5433	0.196	8	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7323	0.045	3	120.5433	0.196	8	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1490	0.124	2	120.5442	0.109	250	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2395	0.280	4	120.5442	0.109	250	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3667	0.192	12	120.5442	0.109	250	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7286	0.118	9	120.5442	0.109	250	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6925	0.209	2	120.5442	0.109	250	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5532	0.150	5	120.5442	0.109	250	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5632	0.696	9	120.5442	0.109	250	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|Ge<4>,1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6780	0.077	4	120.5442	0.109	250	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5365	0.029	2	120.5442	0.109	250	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7987	0.178	10	120.5442	0.109	250	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5176	0.185	8	120.5442	0.109	250	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5062	0.125	9	120.5442	0.109	250	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7780	0.095	2	120.5442	0.109	250	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6157	0.325	99	120.5442	0.109	250	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4480	0.000	1	120.5442	0.109	250	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2596	0.313	26	120.5442	0.109	250	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5372	0.312	41	120.5442	0.109	250	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|Si<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5230	0.058	2	120.5442	0.109	250	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4597	0.179	3	120.5442	0.109	250	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4745	0.050	2	120.5504	0.311	97	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4305	0.099	6	120.5504	0.311	97	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6110	0.162	3	120.5504	0.311	97	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.0775	2.237	2	120.5504	0.311	97	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|Ge<4>,1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8980	0.096	2	120.5504	0.311	97	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3842	1.513	4	120.5504	0.311	97	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2068	0.983	12	120.5504	0.311	97	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8807	0.261	7	120.5504	0.311	97	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8955	0.226	6	120.5504	0.311	97	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6270	0.203	37	120.5504	0.311	97	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4636	0.264	15	120.5504	0.311	97	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3600	0.000	1	120.5504	0.311	97	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<3>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5565	0.110	4	120.4481	0.044	72	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|Br<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5286	0.169	5	120.4481	0.044	72	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4545	0.129	2	120.4481	0.044	72	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|Cl<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8190	0.170	2	120.4481	0.044	72	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4465	0.066	2	120.4481	0.044	72	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4407	0.245	6	120.4481	0.044	72	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5872	0.233	18	120.4481	0.044	72	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2540	0.028	2	120.4481	0.044	72	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|Br<1>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3485	0.149	2	120.4481	0.044	72	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1770	0.000	1	120.4481	0.044	72	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4005	0.059	2	120.4481	0.044	72	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3866	0.127	9	120.4481	0.044	72	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2853	0.190	6	120.4481	0.044	72	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2293	0.053	4	120.4481	0.044	72	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|P<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3455	0.043	2	120.4481	0.044	72	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3600	0.112	4	120.4481	0.044	72	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3200	0.000	1	120.4481	0.044	72	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Au<2>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6920	0.028	4	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|B<3>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6350	0.000	1	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3280	0.146	2	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5034	0.211	15	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2453	0.310	3	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4905	0.008	2	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|As<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3990	0.078	2	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4020	0.000	1	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5630	0.031	2	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|P<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3170	0.000	1	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4277	0.340	10	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5869	0.291	19	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6550	0.000	1	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|C<5>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.8611	1.506	7	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|C<6>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5830	0.000	1	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Sn<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2280	0.000	1	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4190	0.000	1	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|B<3>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5050	0.065	2	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7820	0.178	3	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7181	0.287	86	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9650	0.000	1	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8010	0.358	7	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6642	0.211	29	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6730	0.254	19	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2000	0.000	1	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2830	0.000	1	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4307	0.973	141	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5865	0.899	18	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<5>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.7630	0.000	1	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ge<4>,1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7480	0.290	4	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ge<4>,1|Si<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4830	0.092	2	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ge<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4680	0.137	3	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|I<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3055	0.194	2	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Mn<6>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	118.3775	1.914	2	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7070	0.000	1	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5833	0.618	18	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5840	0.335	8	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8630	0.000	1	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8230	0.000	1	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6077	0.741	151	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|P<3>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4615	0.531	2	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|P<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4758	0.608	12	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Pd<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2435	0.012	2	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Rh<7>,1|N<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4880	0.091	2	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ru<7>,1|P<5>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1460	1.242	2	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<2>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6870	0.154	2	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4853	0.471	3	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6300	0.102	2	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,1|Sn<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3190	0.560	2	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6701	0.207	23	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0360	0.000	1	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8528	2.603	117	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|P<3>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6720	0.030	2	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|P<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6124	0.258	8	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|Si<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3535	0.060	2	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6942	0.479	24	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5445	0.454	80	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5706	0.284	45	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|I<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8565	0.456	2	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|I<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5260	0.000	1	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4247	0.228	3	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4757	0.178	28	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4597	0.372	6	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3670	0.000	1	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|N<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2670	0.000	1	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3730	0.312	4	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7090	0.243	3	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7030	0.000	1	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4400	0.000	1	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4844	0.727	79	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|F<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9530	0.929	2	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6556	0.312	14	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4740	0.307	2	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2370	0.000	1	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3200	0.194	3	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Cl<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4680	0.000	1	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Cl<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6400	0.000	1	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|F<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.9920	0.000	1	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7046	0.528	26	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0300	0.000	1	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1260	0.000	1	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0768	0.131	4	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6400	0.320	7	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0620	0.000	1	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9110	0.000	1	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4730	0.679	60	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3920	0.000	1	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5576	0.159	18	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0218	0.146	5	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7473	0.329	16	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9444	0.289	35	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7210	0.000	1	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|P<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5650	0.093	2	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|P<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1677	0.100	8	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6085	0.019	2	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9560	0.274	2	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7409	0.238	15	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	119.6800	0.000	1	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5824	0.507	165	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|I<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4040	0.000	1	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9495	0.654	2	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7665	0.040	2	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1780	0.000	1	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ir<8>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1460	0.000	1	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4492	0.514	5	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.4620	0.000	1	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Se<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3390	0.000	1	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6750	0.000	1	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2470	0.154	3	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8473	0.547	6	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5578	0.109	16	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Sb<2>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3723	0.242	4	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	119.8350	0.922	2	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Sn<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4825	0.206	2	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6717	0.091	3	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6735	0.690	4	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6110	0.189	4	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8333	0.043	3	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5357	0.185	3	120.5953	0.853	1498	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Ge[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Ge<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Ge[5])(C[6a]C[6a]H){1|Ge<4>,1|Pt<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.8507	0.169	3	119.8982	0.055	6	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Ge[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Ge<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Ge[5])(C[6a]C[6a]H){2|Ge<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9457	0.320	3	119.8982	0.055	6	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]I[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|I<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]I[5])(C[6a]C[6a]H){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.7226	0.498	10	119.7226	0.248	10	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7920	0.178	2	120.6135	10.308	4	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Pd<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4350	5.547	2	120.6135	10.308	4	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|Os<6>,1|P<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9982	0.258	4	120.9998	0.078	12	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|Os<8>,1|P<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7510	0.037	2	120.9998	0.078	12	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|Re<6>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4470	0.188	2	120.9998	0.078	12	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9023	0.144	4	120.9998	0.078	12	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|S<1>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3335	0.080	2	120.2824	0.102	89	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){2|S<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1950	0.028	2	120.2824	0.102	89	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|P<5>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|U<12>,2|S<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0786	0.171	7	120.2824	0.102	89	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3920	0.038	2	120.2824	0.102	89	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3033	0.122	10	120.2824	0.102	89	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.7700	0.000	1	120.2824	0.102	89	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|I<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1420	0.163	2	120.2824	0.102	89	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2015	0.042	2	120.2824	0.102	89	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|B<4>,1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4352	0.114	4	120.2824	0.102	89	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|B<4>,1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3170	1.042	2	120.2824	0.102	89	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|B<4>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4625	0.019	2	120.2824	0.102	89	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|B<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4639	0.143	8	120.2824	0.102	89	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3520	0.262	2	120.2824	0.102	89	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|C<4>,1|S<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3035	0.266	4	120.2824	0.102	89	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5305	0.070	4	120.2824	0.102	89	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|Fe<5>,1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4950	0.000	1	120.2824	0.102	89	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|Ir<8>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.0270	0.000	1	120.2824	0.102	89	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|Mo<6>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3025	0.199	2	120.2824	0.102	89	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6805	0.251	2	120.2824	0.102	89	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.8710	0.215	2	120.2824	0.102	89	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3080	0.217	4	120.2824	0.102	89	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.9785	1.119	4	120.2824	0.102	89	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|Pt<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3340	0.067	4	120.2824	0.102	89	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|Ru<6>,1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2330	0.059	2	120.2824	0.102	89	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|S<1>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3580	0.000	1	120.2824	0.102	89	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|Se<1>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3345	0.218	2	120.2824	0.102	89	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2835	0.095	4	120.2824	0.102	89	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){2|S<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9860	0.151	2	120.2824	0.102	89	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3460	0.105	2	120.2824	0.102	89	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<5>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|F<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0975	0.334	2	120.2824	0.102	89	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<2>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3735	0.213	2	120.5425	0.250	66	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5578	0.172	6	120.5425	0.250	66	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Pr<15>,1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6370	0.273	4	120.5425	0.250	66	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Re<6>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0160	0.194	2	120.5425	0.250	66	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Ru<8>,1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5152	0.215	10	120.5425	0.250	66	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Ru<8>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5391	0.177	8	120.5425	0.250	66	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Ru<9>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2445	0.135	2	120.5425	0.250	66	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Ru<9>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3005	0.070	2	120.5425	0.250	66	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.9375	2.142	2	120.5425	0.250	66	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7390	0.168	2	120.5425	0.250	66	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4257	0.149	4	120.5425	0.250	66	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4273	0.728	3	120.5425	0.250	66	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2700	0.062	2	120.5425	0.250	66	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4169	0.168	9	120.5425	0.250	66	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|Pd<5>,1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3890	0.000	1	120.5425	0.250	66	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|N<2>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9790	0.000	1	120.5425	0.250	66	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|N<3>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9820	0.027	3	120.5425	0.250	66	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Pt<4>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2960	0.000	1	120.5425	0.250	66	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|S<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1670	0.158	2	120.5425	0.250	66	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Se<2>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3265	0.023	2	119.9007	0.186	6	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Se<2>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.9875	0.009	2	119.9007	0.186	6	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Se<2>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.3880	0.168	2	119.9007	0.186	6	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|B<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1330	0.000	1	120.0058	0.230	60	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1320	0.000	1	120.0058	0.230	60	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.7870	0.000	1	120.0058	0.230	60	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1287	1.854	4	120.0058	0.230	60	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|Pd<4>,1|Si<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.8415	0.067	2	120.0058	0.230	60	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|Pt<4>,1|Si<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.7685	0.386	4	120.0058	0.230	60	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|Ru<9>,1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1165	0.101	2	120.0058	0.230	60	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0720	0.147	8	120.0058	0.230	60	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|Cl<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1220	0.195	2	120.0058	0.230	60	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1539	0.126	8	120.0058	0.230	60	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|Si<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0459	0.299	12	120.0058	0.230	60	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.9684	0.205	8	120.0058	0.230	60	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.8942	0.081	4	120.0058	0.230	60	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.6220	0.086	3	120.0058	0.230	60	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Ga[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Ga<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Ga[5,5]C[6a])(C[6a]C[6a]H){1|N<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.2885	2.206	4	119.2885	4.866	4	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]In[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|In<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]In[5,5]C[6a])(C[6a]C[6a]H){1|N<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.5015	0.090	2	119.5015	0.008	2	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3300	0.453	4	121.3282	0.154	5	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3210	0.000	1	121.3282	0.154	5	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]P[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0850	0.038	2	121.0850	0.001	2	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]S[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<6>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]S[5,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	118.4695	1.944	2	118.4695	3.779	2	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,1|Si<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.9818	0.071	4	119.9387	0.050	15	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.9230	0.260	11	119.9387	0.050	15	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Si[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]Si[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1650	0.229	2	120.1650	0.052	2	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7699	0.172	18	120.7730	0.026	22	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	H(C[6a]C[5,6a]C[6a])	120.8670	0.017	2	120.7730	0.026	22	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7065	0.098	2	120.7730	0.026	22	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7370	0.000	1	120.7370	0.000	1	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1720	0.000	1	121.0654	0.229	33	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7280	0.000	1	121.0654	0.229	33	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9052	0.157	5	121.0654	0.229	33	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Cl<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9870	0.000	1	121.0654	0.229	33	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4304	0.624	7	121.0654	0.229	33	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1948	0.539	9	121.0654	0.229	33	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>}	H(C[6a]C[5,6a]C[6a])	120.8140	0.000	1	121.0654	0.229	33	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0690	0.000	1	121.0654	0.229	33	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7635	0.340	4	121.0654	0.229	33	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|N<2>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6740	0.000	1	121.0654	0.229	33	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6840	0.027	2	121.0654	0.229	33	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6160	0.000	1	120.6160	0.000	1	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]O[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]O[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1300	0.000	1	121.0655	0.008	2	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]O[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]O[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0010	0.000	1	121.0655	0.008	2	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	122.2980	0.000	1	120.6378	0.324	13	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0160	0.000	1	120.6378	0.324	13	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4610	0.000	1	120.6378	0.324	13	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8610	0.000	1	120.6378	0.324	13	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6933	0.099	3	120.6378	0.324	13	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1900	0.000	1	120.6378	0.324	13	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6800	0.000	1	120.6378	0.324	13	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4265	0.293	4	120.6378	0.324	13	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3980	0.000	1	120.3980	0.000	1	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.9580	0.000	1	119.9580	0.000	1	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7550	0.000	1	120.5877	0.200	23	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3005	0.120	2	120.5877	0.200	23	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5530	0.000	1	120.5877	0.200	23	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6540	0.000	1	120.5877	0.200	23	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4493	0.117	3	120.5877	0.200	23	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7981	0.521	10	120.5877	0.200	23	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2040	0.824	2	120.5877	0.200	23	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4057	0.276	3	120.5877	0.200	23	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|W<6>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.7500	0.000	1	119.8933	0.203	3	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.9650	0.612	2	119.8933	0.203	3	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.8497	0.179	3	119.8497	0.032	3	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	119.5600	0.000	1	120.5330	0.362	27	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6547	0.111	3	120.5330	0.362	27	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6930	0.000	1	120.5330	0.362	27	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3145	0.125	2	120.5330	0.362	27	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6032	0.182	6	120.5330	0.362	27	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.8617	1.084	6	120.5330	0.362	27	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.0233	0.244	4	120.5330	0.362	27	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4010	0.000	1	120.5330	0.362	27	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9230	0.018	2	120.5330	0.362	27	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4160	0.000	1	120.5330	0.362	27	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5,6a]C[5,6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.3590	0.000	1	119.3590	0.000	1	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6800	0.000	1	120.6800	0.000	1	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6800	0.000	1	120.6800	0.000	1	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]N[5,6a]N[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2810	0.000	1	121.2810	0.000	1	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6a]N[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]N[5,6a]N[6a])(C[5,6a]C[6a]Se[5])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2940	0.110	3	120.2940	0.012	3	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]I)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]I)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|I<1>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2678	1.717	8	120.2678	2.948	8	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]I)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]I)(H){1|C<4>,1|I<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|I<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6090	0.000	1	120.6090	0.000	1	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]I)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]I)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|I<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6650	0.000	1	120.6650	0.000	1	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Ir)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Ir)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ir<6>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.3853	0.569	3	119.6667	0.142	10	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Ir)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Ir)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ir<6>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.7316	0.179	5	119.6667	0.142	10	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Ir)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Ir)(H){5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ir<6>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.9265	0.325	2	119.6667	0.142	10	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Ir)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Ir)(H){1|P<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|Ir<6>,1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.0520	0.000	1	120.0520	0.000	1	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8967	0.596	4	120.8967	0.356	4	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N)(H){1|C<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0630	0.000	1	120.1163	0.673	3	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N)(H){1|C<4>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	119.6430	0.035	2	120.1163	0.673	3	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N)(H){1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2180	0.028	2	120.2180	0.001	2	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.6890	0.091	2	119.8140	0.051	3	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N)(H){1|Si<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.0640	0.000	1	119.8140	0.051	3	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N[6])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N[6])(H){1|H<1>,1|P<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8870	0.000	1	120.8870	0.000	1	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N[6])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N[6])(H){1|C<4>,1|S<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2825	0.118	4	120.3105	0.044	11	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N[6])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N[6])(H){1|H<1>,1|S<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3264	0.255	7	120.3105	0.044	11	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.4340	0.000	1	120.4340	0.000	1	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a,6a]N[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H){1|N<2>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]N[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|O<2>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.8680	0.000	1	121.8680	0.000	1	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|S<2>,2|O<2>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6600	0.000	1	120.6600	0.000	1	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1110	0.000	1	121.1110	0.000	1	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2180	0.000	1	120.2180	0.000	1	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H){1|B<3>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6930	0.010	2	120.6930	0.000	2	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7140	0.000	1	120.7496	0.040	29	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9390	0.000	1	120.7496	0.040	29	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6006	0.182	5	120.7496	0.040	29	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5884	0.120	8	120.7496	0.040	29	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7380	0.000	1	120.7496	0.040	29	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H){1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,2|O<2>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0182	0.108	6	120.7496	0.040	29	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H){1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7899	0.069	7	120.7496	0.040	29	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]O[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]O)(H){2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]O[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9965	0.042	2	120.9965	0.002	2	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Pt)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Pt)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Pt<4>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.0525	0.353	2	120.2892	0.084	5	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Pt)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Pt)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Pt<6>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4395	0.162	2	120.2892	0.084	5	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Pt)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]Pt)(H){5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Pt<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4620	0.000	1	120.2892	0.084	5	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]S)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]S)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<2>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1440	0.000	1	120.1440	0.000	1	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6,6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6,6a]O)(H){5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.5520	0.000	1	119.5520	0.000	1	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]C)(H){4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	121.4460	0.000	1	121.7235	0.154	2	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]C)(H){4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	122.0010	0.000	1	121.7235	0.154	2	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]As[5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]H)(H){1|As<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]As[5]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8475	0.087	2	120.9845	0.045	4	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]As[5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]H)(H){1|As<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]As[5]C[6a])(C[6a]C[6a]H){1|N<2>,1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1215	0.228	2	120.9845	0.045	4	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]H)(H){1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1710	0.034	2	121.1710	0.001	2	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]H)(H){1|P<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0100	0.141	2	121.1275	0.031	4	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]H)(H){1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2450	0.129	2	121.1275	0.031	4	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]H)(H){1|Si<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0840	0.011	2	121.0840	0.000	2	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]O[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]O[6a]O)(H){4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	120.1948	0.086	5	120.0886	0.153	7	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]2)(C[6a]O[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]2)(C[6a]O[6a]O)(H){4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.8230	0.832	2	120.0886	0.153	7	120.5318	0.626	2837	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]H)(H)	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]H)(H){5|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.8520	0.000	1	119.9475	0.015	4	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]H)(H)	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]H)(H){5|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	119.9793	0.130	3	119.9475	0.015	4	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a]C[6a])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a]C[6a])(H){1|H<1>,1|O<1>,1|S<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7210	0.000	1	120.7210	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a,6a])(C[5]C[5,5,6]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5,6]C[6a,6a])(C[5]C[5,5,6]C)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0970	0.000	1	120.0970	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[5]C[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[5]C[5,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2025	0.269	2	120.2025	0.073	2	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[5]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|C<4>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[5]C[6a]N[5])(C[6a]C[6a]H){1|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0400	0.000	2	121.0400	0.000	2	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|C<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2390	0.000	1	120.3503	0.147	3	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4060	0.525	2	120.3503	0.147	3	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1490	0.058	2	120.1490	0.003	2	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9382	0.387	4	120.9382	0.150	4	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]N[5,5])(C[5]C[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5,5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9370	0.000	1	120.9370	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	120.8030	0.129	4	120.8030	0.017	4	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.0370	0.102	2	120.0370	0.010	2	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H){1|H<1>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3425	0.111	2	120.4718	0.026	4	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H){1|H<1>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6010	0.004	2	120.4718	0.026	4	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8760	0.000	1	120.8760	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	H(C[6a]C[5,6a]C[6a])	120.6260	0.031	3	120.6260	0.001	3	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.8180	0.000	1	121.8180	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	121.7420	0.000	1	121.7420	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.7685	0.282	2	121.7685	0.080	2	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.6270	0.000	1	121.6270	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]As)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|As<2>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]As)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2030	0.141	2	121.2030	0.020	2	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1282	0.554	9	121.1282	0.307	9	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9670	0.000	1	120.9670	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4710	0.089	2	121.3910	0.023	3	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|Br<1>,1|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2310	0.000	1	121.3910	0.023	3	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]P)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|P<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]P)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3145	0.095	2	121.3145	0.009	2	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]H)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	122.0510	0.000	1	122.0510	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0280	0.508	2	121.0280	0.258	2	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0350	0.000	1	121.0350	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	121.0060	0.000	1	120.9565	0.005	2	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9070	0.000	1	120.9565	0.005	2	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|Br<1>,1|Os<9>,1|C<3>,1|H<1>,2|N<3>}	H(C[6a]C[5,6a]C[6a])	122.1380	0.000	1	122.1380	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.0050	0.000	1	120.0050	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	120.7760	0.000	1	120.7760	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5520	0.160	2	120.2513	0.284	3	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.6500	0.000	1	120.2513	0.284	3	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.9770	0.000	1	119.9770	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	119.3390	0.000	1	119.3390	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.0440	0.000	1	120.0440	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8340	0.000	1	120.8340	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.5610	0.000	1	120.5610	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|C<2>,1|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5080	0.000	1	120.3653	0.021	3	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|N<3>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2940	0.107	2	120.3653	0.021	3	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.0350	0.000	1	120.0350	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.5880	0.000	1	120.6866	0.234	9	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|C<2>,1|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0955	0.086	2	120.6866	0.234	9	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3170	0.000	1	120.6866	0.234	9	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|N<3>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5935	0.260	2	120.6866	0.234	9	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|C<4>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4690	0.000	1	120.6866	0.234	9	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2600	0.000	1	120.6866	0.234	9	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1670	0.000	1	120.6866	0.234	9	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	120.1140	0.000	1	120.1140	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|S<2>,2|C<4>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2000	0.000	1	120.1982	0.077	5	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3270	0.000	1	120.1982	0.077	5	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,1|S<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3320	0.000	1	120.1982	0.077	5	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4120	0.000	1	120.1982	0.077	5	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.7200	0.000	1	120.1982	0.077	5	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2510	0.000	1	120.2510	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.4945	0.231	4	120.4945	0.053	4	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	119.9915	0.131	2	119.9915	0.017	2	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,2|C<4>,2|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.0150	0.000	1	120.0150	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1020	0.000	1	120.1020	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[6])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[6])(H){1|Ir<6>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0730	0.361	2	121.1197	0.072	3	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[6])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[6])(H){1|Pt<4>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2130	0.000	1	121.1197	0.072	3	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0290	0.000	1	121.0290	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.5395	0.083	2	121.5395	0.007	2	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.9610	0.000	1	121.9610	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4770	0.000	1	121.4770	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3760	0.000	1	121.3760	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0750	0.000	1	121.0875	0.000	2	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1000	0.000	1	121.0875	0.000	2	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|H<1>,2|N<2>}	H(C[6a]C[5,6a]C[6a])	121.8020	0.000	1	121.8020	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|Cl<1>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9030	0.000	1	120.9030	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7380	0.000	1	121.7380	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6a]C[5,6a]C[6a])	121.7950	0.057	2	121.7423	0.010	3	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H){2|Cl<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.6370	0.000	1	121.7423	0.010	3	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4650	0.000	1	121.4650	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.8150	0.038	2	121.8150	0.001	2	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.1900	0.000	1	122.1900	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|F<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|F<1>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4460	0.000	1	121.4460	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|O<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3900	0.000	1	121.3900	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]B[5x3,5x5,17x6]C[6a])(C[5]C[3x3,4,4x5,14x6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<6>,1|C<3>,1|C<5>,1|H<1>,1|O<1>}	C[5,6a](C[5,6a]B[5x3,5x5,17x6]C[6a])(C[5]C[3x3,4,4x5,14x6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,5|B<6>}	H(C[6a]C[5,6a]C[6a])	119.0300	0.000	1	119.0300	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]B[5x3,6x5,20x6]C[6a])(C[5]C[5x3,6x5,20x6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<6>,1|C<3>,1|C<6>,1|H<1>,1|O<1>}	C[5,6a](C[5,6a]B[5x3,6x5,20x6]C[6a])(C[5]C[5x3,6x5,20x6]O)(C[6a]C[6a]H){1|C<3>,1|C<6>,2|H<1>,5|B<6>}	H(C[6a]C[5,6a]C[6a])	119.6670	0.792	5	119.6670	0.627	5	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	122.1570	0.000	1	122.1570	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0470	0.192	2	121.0470	0.037	2	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1430	0.000	1	121.1430	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5,5,6]C[6a])(C[5]C[4,5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[4,5,5,6]C[6a])(C[5]C[4,5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.8410	0.000	1	120.8410	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]Cl)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]Cl)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6600	0.888	2	121.6600	0.789	2	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8077	0.138	19	120.8014	0.021	22	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]O)(C[6a]C[6a]H){2|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5540	0.000	1	120.8014	0.021	22	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]O)(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9930	0.000	1	120.8014	0.021	22	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<1>,3|C<4>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]O)(C[6a]C[6a]H){2|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7380	0.000	1	120.8014	0.021	22	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]P)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]P)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3760	0.000	1	120.3760	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]S)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]S)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6910	0.000	1	120.6910	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9340	0.000	1	120.9340	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,3x6]C[6a])(C[5]C[5,6,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,3x6]C[6a])(C[5]C[5,6,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8500	0.176	6	120.8500	0.031	6	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(C[5]C[5,5,6,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(C[5]C[5,5,6,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	120.5410	0.000	1	120.9015	0.260	2	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(C[5]C[5,5,6,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(C[5]C[5,5,6,6]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2620	0.000	1	120.9015	0.260	2	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3610	0.000	1	121.3610	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[3x5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[3x5,6]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0600	0.000	1	121.0800	0.001	2	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[3x5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[3x5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	121.1000	0.000	1	121.0800	0.001	2	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5962	0.063	5	120.5962	0.004	5	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4270	0.000	1	120.1910	0.111	2	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9550	0.000	1	120.1910	0.111	2	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.2090	0.000	1	120.6505	0.390	2	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0920	0.000	1	120.6505	0.390	2	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	121.0497	0.201	6	120.8969	0.055	17	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|N<3>}	H(C[6a]C[5,6a]C[6a])	120.8002	0.285	6	120.8969	0.055	17	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8296	0.122	5	120.8969	0.055	17	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5,6,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5,6,6]O)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7520	0.000	1	120.7520	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]H){1|Si<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5575	0.170	6	120.5029	0.033	9	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]H){1|B<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2790	0.000	1	120.5029	0.033	9	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6080	0.000	1	120.5029	0.033	9	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2940	0.000	1	120.5029	0.033	9	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5510	0.000	1	120.4236	0.067	10	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4313	0.467	3	120.4236	0.067	10	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5000	0.000	1	120.4236	0.067	10	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4133	0.214	3	120.4236	0.067	10	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1890	0.000	1	120.4236	0.067	10	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.4620	0.000	1	120.4236	0.067	10	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5920	0.000	1	120.5830	0.000	2	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5740	0.000	1	120.5830	0.000	2	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	120.7200	0.000	1	120.9466	0.126	33	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8630	0.000	1	120.9466	0.126	33	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3680	0.000	1	120.9466	0.126	33	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	121.0840	0.000	2	120.9466	0.126	33	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<3>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	120.5090	0.000	1	120.9466	0.126	33	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9060	0.000	1	120.9466	0.126	33	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	121.1915	0.095	2	120.9466	0.126	33	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|Fe<10>,1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8373	0.257	3	120.9466	0.126	33	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	120.9688	0.260	8	120.9466	0.126	33	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1705	0.117	2	120.9466	0.126	33	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>,2|N<3>}	H(C[6a]C[5,6a]C[6a])	121.0410	0.000	1	120.9466	0.126	33	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0530	0.000	1	120.9466	0.126	33	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){2|C<3>,2|H<1>,3|O<2>}	H(C[6a]C[5,6a]C[6a])	120.8593	0.644	7	120.9466	0.126	33	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9890	0.000	1	120.9466	0.126	33	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	120.6190	0.000	1	120.9466	0.126	33	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]Si)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]Si)(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4610	0.116	2	120.5013	0.040	6	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]Si)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]Si)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4785	0.025	2	120.5013	0.040	6	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]Si)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]Si)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5645	0.418	2	120.5013	0.040	6	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5500	0.000	1	120.5500	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|I<1>,1|N<3>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6553	0.026	3	120.6679	0.026	16	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|I<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7720	0.000	1	120.6679	0.026	16	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9020	0.000	1	120.6679	0.026	16	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8770	0.000	1	120.6679	0.026	16	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6873	0.172	4	120.6679	0.026	16	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7515	0.070	2	120.6679	0.026	16	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5390	0.000	1	120.6679	0.026	16	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4060	0.033	2	120.6679	0.026	16	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5670	0.000	1	120.6679	0.026	16	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|C<6>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9610	0.000	1	121.1651	0.040	30	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3393	0.138	6	121.1651	0.040	30	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1315	0.008	2	121.1651	0.040	30	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1643	0.271	3	121.1651	0.040	30	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4960	0.000	1	121.1651	0.040	30	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9230	0.000	1	121.1651	0.040	30	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2640	0.096	2	121.1651	0.040	30	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1110	0.000	1	121.1651	0.040	30	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0774	0.191	12	121.1651	0.040	30	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){2|C<3>,2|H<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	121.2120	0.000	1	121.1651	0.040	30	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0670	0.000	2	120.9074	0.143	5	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6170	0.000	1	120.9074	0.143	5	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3600	0.000	1	120.9074	0.143	5	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4260	0.000	1	120.9074	0.143	5	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[5])(C[6a]C[6a]H){2|C<3>,2|H<1>,3|S<2>}	H(C[6a]C[5,6a]C[6a])	120.4613	0.135	3	120.4613	0.018	3	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[5a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[5a])(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1990	0.000	1	120.2902	0.013	5	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[5a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[5a])(C[6a]C[6a]H){2|H<1>,2|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3130	0.118	4	120.2902	0.013	5	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7973	0.313	3	120.7973	0.098	3	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.8290	0.287	2	119.8290	0.082	2	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]N)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]N)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6180	0.000	1	120.6180	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6760	0.000	1	120.7874	0.036	11	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7887	0.160	7	120.7874	0.036	11	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8213	0.312	3	120.7874	0.036	11	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]S)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8640	0.000	1	120.8640	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]Si)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]Si)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.9760	0.000	1	119.9760	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]O)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9690	0.107	2	120.9511	0.010	9	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9460	0.104	7	120.9511	0.010	9	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,3x6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,3x6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1833	0.372	6	121.1833	0.138	6	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8800	0.158	5	120.7947	0.087	7	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1960	0.000	1	120.7947	0.087	7	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	120.9670	0.000	1	120.7947	0.087	7	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6]Br)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6]Br)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.1490	0.000	1	121.1490	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8530	0.000	1	120.8530	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6]Cl)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6]Cl)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.0040	0.000	1	121.0040	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9850	0.252	2	120.9806	0.022	5	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0380	0.044	2	120.9806	0.022	5	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8570	0.000	1	120.9806	0.022	5	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]N[5,6,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]N[5,6,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.2597	0.140	3	121.2597	0.020	3	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.8970	0.000	1	120.8970	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7350	0.000	1	120.5210	0.092	2	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3070	0.000	1	120.5210	0.092	2	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[5a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[5a])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,2|H<1>,2|N<3>}	H(C[6a]C[5,6a]C[6a])	120.5715	0.060	2	120.5558	0.437	5	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[5a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[5a])(C[6a]C[6a]H){1|N<2>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4470	0.000	1	120.5558	0.437	5	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[5a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[5a])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5945	1.315	2	120.5558	0.437	5	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8543	0.129	3	120.3127	1.728	6	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7150	0.000	1	120.3127	1.728	6	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9590	0.000	1	120.3127	1.728	6	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	117.6390	0.000	1	120.3127	1.728	6	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]Cl)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]Cl)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5950	0.000	1	120.5950	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6220	0.000	1	120.7113	0.024	3	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8910	0.000	1	120.7113	0.024	3	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6210	0.000	1	120.7113	0.024	3	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]N)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]N)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	123.1980	0.000	1	121.1315	1.901	4	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]N)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]N)(C[6a]C[6a]H){1|Rh<8>,1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3720	0.000	1	121.1315	1.901	4	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]N)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]N)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4780	0.030	2	121.1315	1.901	4	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5350	0.000	1	120.8717	0.570	58	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7420	0.000	1	120.8717	0.570	58	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1475	0.118	2	120.8717	0.570	58	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8820	0.000	1	120.8717	0.570	58	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9355	0.098	6	120.8717	0.570	58	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.5335	0.063	2	120.8717	0.570	58	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7830	0.000	1	120.8717	0.570	58	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9080	0.000	1	120.8717	0.570	58	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8850	0.000	1	120.8717	0.570	58	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9490	0.335	3	120.8717	0.570	58	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	119.6340	0.000	1	120.8717	0.570	58	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0050	0.000	1	120.8717	0.570	58	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	116.0290	0.000	1	120.8717	0.570	58	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2190	1.144	3	120.8717	0.570	58	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5420	0.000	1	120.8717	0.570	58	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9266	0.364	13	120.8717	0.570	58	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1305	0.218	11	120.8717	0.570	58	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0226	0.154	5	120.8717	0.570	58	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3560	0.069	2	120.8717	0.570	58	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8300	0.000	1	120.8717	0.570	58	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]Si)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]Si)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9000	1.209	2	120.9000	1.462	2	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8480	0.000	1	120.9165	0.009	2	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|S<2>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9850	0.000	1	120.9165	0.009	2	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4470	0.156	2	120.6608	0.055	6	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9090	0.000	1	120.6608	0.055	6	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7910	0.000	1	120.6608	0.055	6	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8830	0.000	1	120.6608	0.055	6	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4880	0.000	1	120.6608	0.055	6	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2290	0.000	2	121.2290	0.000	2	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|C<6>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9450	0.000	1	121.1467	0.048	64	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1260	0.000	1	121.1467	0.048	64	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2108	0.197	5	121.1467	0.048	64	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1702	0.051	4	121.1467	0.048	64	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0583	0.170	9	121.1467	0.048	64	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9502	0.176	6	121.1467	0.048	64	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1900	0.163	2	121.1467	0.048	64	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1430	0.010	2	121.1467	0.048	64	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1793	0.100	3	121.1467	0.048	64	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	120.7340	0.000	1	121.1467	0.048	64	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1950	0.000	1	121.1467	0.048	64	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|B<4>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4058	0.101	6	121.1467	0.048	64	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3431	0.252	8	121.1467	0.048	64	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0560	0.207	14	121.1467	0.048	64	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2590	0.000	1	121.1467	0.048	64	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]C[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>,2|S<2>}	H(C[6a]C[5,6a]C[6a])	121.3050	0.000	1	121.3050	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]N)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]N)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|H<1>,1|N<2>}	H(C[6a]C[5,6a]C[6a])	120.9260	0.000	1	120.9260	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.8084	0.223	5	121.8084	0.050	5	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.7570	0.000	1	121.7570	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3615	0.146	2	120.5723	0.341	164	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6158	0.544	27	120.5723	0.341	164	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6887	0.355	6	120.5723	0.341	164	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4570	0.016	2	120.5723	0.341	164	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|F<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7750	1.311	3	120.5723	0.341	164	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0440	0.000	1	120.5723	0.341	164	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4330	0.000	1	120.5723	0.341	164	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5547	0.597	122	120.5723	0.341	164	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[4])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[4])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5301	0.160	7	120.5982	0.037	11	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[4])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[4])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7173	0.205	4	120.5982	0.037	11	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4658	0.798	20	120.3928	0.545	31	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5275	1.872	2	120.3928	0.545	31	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H){2|H<1>,2|S<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2788	0.207	5	120.3928	0.545	31	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H){2|H<1>,2|S<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1028	0.086	4	120.3928	0.545	31	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a])(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2870	0.000	1	120.2870	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3110	0.192	2	120.8609	1.384	9	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7410	0.000	1	120.8609	1.384	9	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0642	1.426	6	120.8609	1.384	9	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7600	0.000	1	120.4512	0.142	24	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4378	0.380	23	120.4512	0.142	24	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]H)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2360	0.000	1	119.6010	0.806	2	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	118.9660	0.000	1	119.6010	0.806	2	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	H(C[6a]C[5,6a]C[6a])	120.6980	0.000	1	120.7017	0.384	76	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6725	0.690	58	120.7017	0.384	76	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8015	0.301	17	120.7017	0.384	76	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6435	0.255	2	120.6435	0.065	2	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7680	0.000	1	120.9798	0.376	80	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	H(C[6a]C[5,6a]C[6a])	122.0764	2.063	5	120.9798	0.376	80	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,1|I<1>,1|N<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7000	0.000	1	120.9798	0.376	80	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.5330	0.000	1	120.9798	0.376	80	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9671	0.158	12	120.9798	0.376	80	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7382	0.469	4	120.9798	0.376	80	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9082	0.291	55	120.9798	0.376	80	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4920	0.000	1	120.9798	0.376	80	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]P)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]P)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3600	0.109	2	120.1560	0.035	12	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]P)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]P)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1152	0.173	10	120.1560	0.035	12	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]Si)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]Si)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.7450	0.324	2	119.7450	0.105	2	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1435	0.142	8	121.1435	0.020	8	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[5])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>,2|S<2>}	H(C[6a]C[5,6a]C[6a])	121.2539	0.198	12	121.2539	0.039	12	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5810	0.000	1	120.5135	0.009	2	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4460	0.000	1	120.5135	0.009	2	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.8600	0.720	2	121.4842	0.540	26	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3790	0.729	4	121.4842	0.540	26	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]N)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4677	0.762	20	121.4842	0.540	26	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<2>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4350	0.016	2	121.6386	0.336	28	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.6391	0.621	24	121.6386	0.336	28	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.8355	0.221	2	121.6386	0.336	28	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4850	0.000	1	120.4850	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4470	0.000	1	120.4470	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,2|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7420	0.000	1	120.7420	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]B[5]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]B[5]C[5])(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7010	0.000	1	120.7010	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5090	0.000	1	121.2238	0.116	18	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0450	0.000	1	121.2238	0.116	18	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2797	0.304	16	121.2238	0.116	18	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3x5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3x5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1022	0.388	4	121.1022	0.150	4	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[4]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[4]C[5])(C[6a]C[6a]H){1|C<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8510	0.000	1	120.8510	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6765	0.005	2	120.6390	0.004	3	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]C)(C[6a]C[6a]H){3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5640	0.000	1	120.6390	0.004	3	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4570	0.000	1	121.1005	0.138	201	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7590	0.000	1	121.1005	0.138	201	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9070	0.000	1	121.1005	0.138	201	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9250	0.145	3	121.1005	0.138	201	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7280	0.000	1	121.1005	0.138	201	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<2>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8570	0.000	1	121.1005	0.138	201	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0187	0.126	14	121.1005	0.138	201	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0630	0.274	2	121.1005	0.138	201	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,1|S<3>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4770	0.000	1	121.1005	0.138	201	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9280	1.459	2	121.1005	0.138	201	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|S<3>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1660	0.229	2	121.1005	0.138	201	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0100	0.000	1	121.1005	0.138	201	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){2|C<3>,2|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1294	0.221	7	121.1005	0.138	201	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3550	0.126	3	121.1005	0.138	201	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2160	0.055	2	121.1005	0.138	201	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1942	0.186	91	121.1005	0.138	201	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1952	0.182	45	121.1005	0.138	201	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	H(C[6a]C[5,6a]C[6a])	120.6958	0.778	14	121.1005	0.138	201	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	121.1580	0.011	2	121.1005	0.138	201	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,2|S<2>}	H(C[6a]C[5,6a]C[6a])	120.6470	0.821	6	121.1005	0.138	201	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8550	0.000	1	121.1005	0.138	201	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	119.4240	2.167	2	121.0701	0.755	16	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3052	0.183	14	121.0701	0.755	16	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7117	0.149	4	120.7117	0.022	4	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3170	0.000	1	120.3170	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5180	0.150	2	121.1745	0.191	78	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1980	0.105	2	121.1745	0.191	78	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2220	0.134	2	121.1745	0.191	78	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2982	0.334	39	121.1745	0.191	78	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	H(C[6a]C[5,6a]C[6a])	120.9725	0.060	4	121.1745	0.191	78	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2342	0.269	18	121.1745	0.191	78	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7694	0.924	8	121.1745	0.191	78	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	H(C[6a]C[5,6a]C[6a])	120.9480	0.027	3	121.1745	0.191	78	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4760	0.000	1	120.5997	0.238	15	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|Pt<4>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1870	0.000	1	120.5997	0.238	15	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|Ru<5>,1|N<3>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4830	0.000	1	120.5997	0.238	15	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|Ru<6>,1|N<3>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4932	0.117	4	120.5997	0.238	15	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4640	0.000	1	120.5997	0.238	15	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H){3|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1450	0.000	1	120.5997	0.238	15	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7365	0.057	2	120.5997	0.238	15	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4540	0.000	1	120.5997	0.238	15	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|C<3>,4|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6220	0.000	1	120.5997	0.238	15	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|Cl<1>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	122.2550	0.000	1	120.5997	0.238	15	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6])(C[6a]C[6a]H){3|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4630	0.000	1	120.5997	0.238	15	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4725	0.053	2	120.4725	0.003	2	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5])(C[6a]C[6a]H){3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9350	0.000	1	121.0400	0.012	3	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1520	0.000	1	121.0400	0.012	3	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0330	0.000	1	121.0400	0.012	3	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4320	0.000	1	120.5783	0.011	6	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7050	0.000	1	120.5783	0.011	6	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6610	0.000	1	120.5783	0.011	6	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,2|N<3>}	H(C[6a]C[5,6a]C[6a])	120.5370	0.000	1	120.5783	0.011	6	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5050	0.000	1	120.5783	0.011	6	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6300	0.000	1	120.5783	0.011	6	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6,6]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6,6]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9590	0.000	1	119.9590	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8240	0.000	1	120.7118	0.166	94	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6850	0.182	2	120.7118	0.166	94	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1130	0.000	1	120.7118	0.166	94	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4550	0.000	1	120.7118	0.166	94	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6444	0.131	5	120.7118	0.166	94	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4990	0.373	3	120.7118	0.166	94	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|I<1>,1|N<3>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1150	0.000	1	120.7118	0.166	94	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8190	0.000	1	120.7118	0.166	94	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8060	0.000	1	120.7118	0.166	94	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1780	0.000	1	120.7118	0.166	94	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5835	0.004	2	120.7118	0.166	94	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6815	0.017	4	120.7118	0.166	94	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7340	0.000	1	120.7118	0.166	94	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7075	0.101	2	120.7118	0.166	94	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5850	0.000	1	120.7118	0.166	94	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|I<1>,1|N<3>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4245	0.090	2	120.7118	0.166	94	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4580	0.000	1	120.7118	0.166	94	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1910	0.000	1	120.7118	0.166	94	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.5020	0.000	1	120.7118	0.166	94	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3090	0.000	1	120.7118	0.166	94	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8910	0.000	1	120.7118	0.166	94	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|F<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5500	0.000	1	120.7118	0.166	94	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8380	0.058	3	120.7118	0.166	94	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5980	0.000	1	120.7118	0.166	94	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7145	0.040	2	120.7118	0.166	94	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2630	0.000	1	120.7118	0.166	94	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|P<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9040	0.000	1	120.7118	0.166	94	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8700	0.000	1	120.7118	0.166	94	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3100	0.878	5	120.7118	0.166	94	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0496	0.154	7	120.7118	0.166	94	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|P<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5100	0.429	2	120.7118	0.166	94	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|Ru<5>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6816	0.505	22	120.7118	0.166	94	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4355	0.097	8	120.7118	0.166	94	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4270	0.000	1	120.7118	0.166	94	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7670	0.000	1	120.7118	0.166	94	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9600	0.000	1	120.7118	0.166	94	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6690	0.171	3	120.7118	0.166	94	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]N[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]N[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4980	0.000	1	120.4980	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]I[5])(C[5]N[5]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|I<3>,1|N<3>,1|O<2>}	C[5,6a](C[5,6a]C[6a]I[5])(C[5]N[5]O[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.8070	0.000	1	120.8070	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[3,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[3,5]O)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9660	0.000	1	120.9660	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5630	0.000	1	120.7555	0.013	6	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7745	0.037	2	120.7555	0.013	6	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8230	0.000	1	120.7555	0.013	6	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7990	0.123	2	120.7555	0.013	6	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8130	0.028	2	120.3654	0.938	5	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9870	0.000	1	120.3654	0.938	5	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	118.6550	0.000	1	120.3654	0.938	5	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5590	0.000	1	120.3654	0.938	5	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4330	0.000	1	120.0924	0.061	8	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0187	0.233	6	120.0924	0.061	8	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.1940	0.000	1	120.0924	0.061	8	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8200	0.000	1	120.8393	0.002	3	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8490	0.052	2	120.8393	0.002	3	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5310	0.000	1	120.4590	0.010	2	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3870	0.000	1	120.4590	0.010	2	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3990	0.000	2	120.3990	0.000	2	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[4,5]N)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[4,5]N)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5120	0.000	1	120.5120	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[4,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[4,5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5260	0.000	1	120.7020	0.062	2	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[4,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[4,5]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8780	0.000	1	120.7020	0.062	2	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8940	0.000	1	120.8940	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9855	0.039	2	121.0198	0.055	12	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0162	0.235	5	121.0198	0.055	12	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0370	0.309	5	121.0198	0.055	12	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0401	0.168	8	121.0368	0.025	9	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|S<2>}	H(C[6a]C[5,6a]C[6a])	121.0100	0.000	1	121.0368	0.025	9	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5]C[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5040	0.000	1	120.3880	0.063	3	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5610	0.000	1	120.3880	0.063	3	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0990	0.000	1	120.3880	0.063	3	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4840	0.171	2	120.4657	0.016	4	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|N<2>,1|S<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5380	0.000	1	120.4657	0.016	4	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3570	0.000	1	120.4657	0.016	4	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|F<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3180	0.000	1	120.4387	0.027	13	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2960	0.000	1	120.4387	0.027	13	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2340	0.000	1	120.4387	0.027	13	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5880	0.000	1	120.4387	0.027	13	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5480	0.000	1	120.4387	0.027	13	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2260	0.000	1	120.4387	0.027	13	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|P<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7350	0.000	1	120.4387	0.027	13	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4870	0.070	3	120.4387	0.027	13	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|W<6>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3435	0.118	2	120.4387	0.027	13	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|W<6>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6100	0.000	1	120.4387	0.027	13	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6833	0.225	3	120.5727	0.034	9	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4340	0.102	4	120.5727	0.034	9	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6840	0.017	2	120.5727	0.034	9	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8070	0.000	1	120.8070	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<4>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9310	0.062	2	120.8473	0.023	3	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	120.6800	0.000	1	120.8473	0.023	3	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){1|S<2>,2|H<1>,2|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4420	0.000	1	120.5462	0.019	5	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5a]C[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5722	0.146	4	120.5462	0.019	5	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<4>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1390	0.000	1	121.1390	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4661	0.182	8	120.4661	0.033	8	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7330	0.000	1	121.0057	0.056	3	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1420	0.023	2	121.0057	0.056	3	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3570	0.000	1	120.2428	0.009	5	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2142	0.078	4	120.2428	0.009	5	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[3,5]C[6a])(C[5]C[3,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]N[3,5]C[6a])(C[5]C[3,5]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7800	0.000	1	120.7800	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[3x5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6870	0.000	1	120.6870	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7080	0.218	3	120.7080	0.048	3	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9494	0.017	5	120.9160	0.066	11	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7045	0.083	2	120.9160	0.066	11	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1877	0.117	3	120.9160	0.066	11	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3570	0.000	1	120.9160	0.066	11	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]N[5,5]Pd)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|C<3>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]N[5,5]Pd)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9365	0.098	2	120.9365	0.010	2	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7650	0.000	1	120.7483	0.005	3	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7400	0.099	2	120.7483	0.005	3	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6,6]C[6a])(C[5]C[5,3x6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]N[5,6,6]C[6a])(C[5]C[5,3x6]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7810	0.000	1	120.7810	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6,6]C[6a])(C[5]N[5,6,6]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]N[5,6,6]C[6a])(C[5]N[5,6,6]C)(C[6a]C[6a]H){1|Nb<7>,1|B<4>,1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2103	0.474	3	121.2103	0.224	3	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5890	0.000	1	120.7692	0.032	4	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,5,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.8293	0.161	3	120.7692	0.032	4	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6,6]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7280	0.000	2	120.7280	0.000	2	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3710	0.000	1	120.5156	0.035	5	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7000	0.000	1	120.5156	0.035	5	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2700	0.000	1	120.5156	0.035	5	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5880	0.000	1	120.5156	0.035	5	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6490	0.000	1	120.5156	0.035	5	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9040	0.041	2	120.7628	0.102	14	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6330	0.000	1	120.7628	0.102	14	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7000	0.000	1	120.7628	0.102	14	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4085	0.131	2	120.7628	0.102	14	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1550	0.000	1	120.7628	0.102	14	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0305	0.021	2	120.7628	0.102	14	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7550	0.037	2	120.7628	0.102	14	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4560	0.000	1	120.7628	0.102	14	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7695	0.080	2	120.7628	0.102	14	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]N[5,6]Cu)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cu<2>,1|C<3>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]N[5,6]Cu)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6640	0.000	1	120.6640	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]N[5,6]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]N[5,6]H)(C[6a]C[6a]H){1|C<3>,2|B<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8995	0.056	2	120.7635	0.260	6	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]N[5,6]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]N[5,6]H)(C[6a]C[6a]H){2|Ga<4>,1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6955	0.643	4	120.7635	0.260	6	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]N[5,6]Pd)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|C<3>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]N[5,6]Pd)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8250	0.349	2	120.8250	0.122	2	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9080	0.000	1	120.9080	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|Ru<6>,1|C<3>,2|H<1>,2|N<3>}	H(C[6a]C[5,6a]C[6a])	122.2310	0.000	1	122.2310	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]P[5,5,6]C[6a])(C[5]C[5,5]Cl)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|P<5>,2|C<3>}	C[5,6a](C[5,6a]P[5,5,6]C[6a])(C[5]C[5,5]Cl)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7990	0.000	1	120.7990	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]P[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<5>,3|C<3>}	C[5,6a](C[5,6a]P[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9270	0.598	2	120.9270	0.358	2	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]P[5,5]C[6a])(C[5]C[5,5]Cl)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|P<5>,2|C<3>}	C[5,6a](C[5,6a]P[5,5]C[6a])(C[5]C[5,5]Cl)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5790	0.000	1	120.5790	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]P[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|P<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]P[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.8670	0.000	1	120.2450	0.069	4	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]P[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]P[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2750	0.000	1	120.2450	0.069	4	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]P[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]P[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H){1|S<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4480	0.000	1	120.2450	0.069	4	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]P[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]P[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H){1|Se<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3900	0.000	1	120.2450	0.069	4	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,1|I<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6070	0.000	1	120.6070	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]C[6])(C[6a]C[6a]H){1|H<1>,1|I<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.9700	0.000	1	119.9700	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|C<2>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|Br<1>,1|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2045	0.579	2	121.6842	0.795	11	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|C<2>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9395	0.149	2	121.6842	0.795	11	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1030	0.000	1	121.6842	0.795	11	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){2|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	122.1892	0.911	6	121.6842	0.795	11	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|Br<1>,1|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	122.0060	0.006	2	121.4690	0.729	16	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|C<2>,1|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	122.1775	2.630	2	121.4690	0.729	16	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5265	0.223	2	121.4690	0.729	16	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3190	0.247	2	121.4690	0.729	16	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){2|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4308	0.265	8	121.4690	0.729	16	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5a])(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5a])(H){1|O<1>,2|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|B<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(C[6a]C[5,6a]C[6a])	120.7550	0.000	1	120.7790	0.001	2	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5a])(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5a])(H){1|O<1>,2|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8030	0.000	1	120.7790	0.001	2	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6])(H)	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6])(H){1|N<2>,1|N<3>,1|O<1>,4|C<4>}	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	121.6130	0.000	1	121.6130	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6a])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6a])(H){1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|N<2>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3550	0.000	1	121.3550	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0720	0.000	1	121.0720	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8980	0.000	1	120.8980	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3800	0.190	2	121.2155	0.064	4	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|B<4>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	H(C[6a]C[5,6a]C[6a])	121.0510	0.216	2	121.2155	0.064	4	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8060	0.000	1	120.6060	0.044	10	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5919	0.238	7	120.6060	0.044	10	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	120.5555	0.094	2	120.6060	0.044	10	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.5510	0.000	1	121.1985	0.117	6	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1280	0.331	5	121.1985	0.117	6	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9373	0.100	3	120.9373	0.010	3	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|N<2>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	122.4230	0.000	1	121.4197	0.472	4	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|N<2>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,1|S<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1835	0.131	2	121.4197	0.472	4	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|N<2>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,2|N<2>}	H(C[6a]C[5,6a]C[6a])	120.8890	0.000	1	121.4197	0.472	4	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7817	0.105	3	120.6990	0.040	5	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3680	0.000	1	120.6990	0.040	5	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,1|S<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7820	0.000	1	120.6990	0.040	5	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	121.2810	0.000	1	121.2810	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]O)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	121.2000	0.000	1	121.2000	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9180	0.000	1	120.9180	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5960	0.000	1	120.5960	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]O)(C[6a]C[6a]H){2|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8890	0.000	1	120.8890	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]S)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]S)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C)(C[6a]C[6a]H){1|N<3>,1|S<4>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9665	0.221	2	120.9665	0.049	2	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Se)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Se)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]H){1|Se<2>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0770	0.000	1	121.0770	0.000	1	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]C)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]C)(H){1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	121.0545	0.095	2	121.0545	0.009	2	120.8645	0.334	1732	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:As[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]As[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(As[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]As[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(As[5]O[5]O){1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9370	0.000	1	120.9370	0.000	1	120.9370	0.000	1	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]B[5,5a]C[6a])(C[6a]C[6a]H)(B[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,2|O<2>}	C[5,6a](C[5,6a]B[5,5a]C[6a])(C[6a]C[6a]H)(B[5]O[5]O){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8380	0.000	1	120.8380	0.000	1	120.0917	0.667	19	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H)(B[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,2|O<2>}	C[5,6a](C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H)(B[5]O[5]O){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1090	2.977	2	120.1090	8.862	2	120.0917	0.667	19	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]N[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]N[5]N){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9710	0.000	1	119.9640	0.002	5	120.0917	0.667	19	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]N[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]N[5]N){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9360	0.000	1	119.9640	0.002	5	120.0917	0.667	19	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]N[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]N[5]N){1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9710	0.056	3	119.9640	0.002	5	120.0917	0.667	19	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]O[5]O){1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9642	0.168	6	120.0863	0.057	9	120.0917	0.667	19	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]O[5]O){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4540	0.000	1	120.0863	0.057	9	120.0917	0.667	19	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]O[5]O){1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2690	0.141	2	120.0863	0.057	9	120.0917	0.667	19	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(B[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|I<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(B[5]O[5]O){1|C<3>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.0330	0.000	1	119.0330	0.000	1	120.0917	0.667	19	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]N[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]N[6a]H)(H){1|C<3>,1|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]O[5]O){1|C<3>,1|F<1>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0560	0.000	1	121.0560	0.000	1	120.0917	0.667	19	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]B[6a]H)(H)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]B[6a]H)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|B<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5210	0.000	1	120.5210	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5690	0.000	1	120.3035	0.141	2	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0380	0.000	1	120.3035	0.141	2	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(H){1|C<3>,1|O<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4070	0.000	1	120.4070	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6680	0.000	1	120.6680	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]Ge[5])(C[6a]C[6a]H)(C[5]N[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(H){1|Ge<3>,1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C[5,6a](C[5,6a]C[5,6a]Ge[5])(C[6a]C[6a]H)(C[5]N[5]C){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	119.7695	0.052	2	119.6132	0.035	4	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]Ge[5])(C[6a]C[6a]H)(C[5]N[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(H){1|Ge<3>,1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C[5,6a](C[5,6a]C[5,6a]Ge[5])(C[6a]C[6a]H)(C[5]N[5]C){1|Ge<3>,1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	119.4570	0.075	2	119.6132	0.035	4	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]Nb[5,5])(C[6a]C[6a]H)(C[5]N[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(H){1|Nb<6>,1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C[5,6a](C[5,6a]C[5,6a]Nb[5,5])(C[6a]C[6a]H)(C[5]N[5]C){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	119.2235	0.313	2	119.1469	0.088	8	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]Nb[5,5])(C[6a]C[6a]H)(C[5]N[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(H){1|Nb<6>,1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C[5,6a](C[5,6a]C[5,6a]Nb[5,5])(C[6a]C[6a]H)(C[5]N[5]C){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.2385	0.188	4	119.1469	0.088	8	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]Nb[5,5])(C[6a]C[6a]H)(C[5]N[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(H){1|Nb<6>,1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C[5,6a](C[5,6a]C[5,6a]Nb[5,5])(C[6a]C[6a]H)(C[5]N[5]C){1|H<1>,1|N<2>,1|N<3>,2|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	118.8870	0.481	2	119.1469	0.088	8	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a]Nb[3,5,5]C[5,6a])(C[6a]C[6a]H)(C[5]N[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(H){1|Nb<7>,1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C[5,6a](C[5,6a]Nb[3,5,5]C[5,6a])(C[6a]C[6a]H)(C[5]N[5]C){1|C<4>,1|H<1>,1|H<2>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	118.9460	0.262	2	118.9460	0.068	2	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]O)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,2|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1555	0.148	2	121.2670	0.048	3	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]O)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|H<1>,1|O<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	121.4900	0.000	1	121.2670	0.048	3	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]O)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,2|H<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	121.1350	0.000	1	121.1350	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]O)(H)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]O)(H){1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	131.1390	0.000	1	131.1390	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a]C[6a])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a]C[6a])(H){1|H<1>,1|O<1>,1|S<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1410	0.000	1	120.1410	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a]C[6a])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a]C[6a])(H){1|H<1>,1|N<3>,1|O<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9530	0.064	2	120.7657	0.107	3	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a]C[6a])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a]C[6a])(H){1|N<2>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3910	0.000	1	120.7657	0.107	3	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6,6a]H)(H)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6,6a]H)(H){1|C<3>,1|O<1>,3|C<4>}	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7472	0.102	6	120.7472	0.010	6	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6,6a]O)(H)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6,6a]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	121.5610	0.000	1	121.5610	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6,6a]O)(H)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6,6a]O)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	121.4650	0.000	1	121.5925	0.033	2	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6,6a]O)(H)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6,6a]O)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,3|O<2>}	H(C[6a]C[5,6a]C[6a])	121.7200	0.000	1	121.5925	0.033	2	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[3,5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[3,5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4740	0.000	1	120.4740	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0050	0.000	1	120.9413	1.544	3	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4095	1.331	2	120.9413	1.544	3	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4090	0.000	1	120.4290	0.002	4	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4357	0.047	3	120.4290	0.002	4	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0070	0.000	1	121.0070	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|H<1>,1|S<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0320	0.000	1	121.0320	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|H<1>,1|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6890	0.131	3	120.6890	0.017	3	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|H<1>,2|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1500	0.000	1	121.1040	0.002	3	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0930	0.000	1	121.1040	0.002	3	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0690	0.000	1	121.1040	0.002	3	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|O<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|H<1>,1|O<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	119.1200	0.000	1	119.1200	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Zn<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7460	0.000	1	120.7460	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|H<1>,1|O<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6150	0.000	1	120.6150	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8450	0.000	1	120.8450	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]P[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|C<4>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]P[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.0660	0.000	1	120.0660	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]Se[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|Se<2>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]Se[5])(C[6a]C[6a]H)(C[5]C[5]H){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9280	0.000	1	119.9280	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H){1|B<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]H){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5250	0.000	1	120.5250	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H){1|C<2>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|N<1>,1|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0660	0.000	1	120.6477	0.141	3	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H){1|H<1>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4385	0.141	2	120.6477	0.141	3	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9784	0.264	9	120.9022	0.070	12	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|H<1>,1|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6737	0.055	3	120.9022	0.070	12	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3620	0.143	2	120.2434	0.128	5	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4115	0.278	2	120.2434	0.128	5	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.6700	0.000	1	120.2434	0.128	5	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|Br<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.5610	0.000	1	121.5870	0.001	2	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|Br<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.6130	0.000	1	121.5870	0.001	2	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Br<1>,1|C<2>,1|H<1>,1|O<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0520	0.000	1	121.4645	0.340	2	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,1|S<2>}	H(C[6a]C[5,6a]C[6a])	121.8770	0.000	1	121.4645	0.340	2	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2300	0.000	1	121.2300	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|C<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5850	0.000	1	121.4643	0.023	3	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2920	0.000	1	121.4643	0.023	3	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.5160	0.000	1	121.4643	0.023	3	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|Br<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1725	0.512	4	121.5315	0.368	11	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6990	0.000	1	121.5315	0.368	11	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	121.6443	0.987	3	121.5315	0.368	11	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.8413	0.200	3	121.5315	0.368	11	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|Br<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|Br<1>,1|C<3>,1|H<1>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	122.1580	0.174	2	122.1580	0.030	2	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Br<1>,1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0390	0.000	1	121.0426	0.006	5	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	121.0230	0.000	1	121.0426	0.006	5	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0503	0.104	3	121.0426	0.006	5	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	121.2967	0.129	3	121.4071	0.027	7	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|Br<1>,1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[5,6a]C[6a])	121.4720	0.000	1	121.4071	0.027	7	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4960	0.183	3	121.4071	0.027	7	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|Br<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9135	0.050	2	120.7869	3.486	20	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|C<3>,1|O<2>,1|S<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9290	0.000	1	120.7869	3.486	20	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6750	0.000	1	120.7869	3.486	20	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	121.2829	0.244	11	120.7869	3.486	20	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5950	0.000	1	120.7869	3.486	20	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3070	0.000	1	120.7869	3.486	20	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.6110	0.577	2	120.7869	3.486	20	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	113.0710	0.000	1	120.7869	3.486	20	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9770	0.000	1	121.3290	0.057	4	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	121.5030	0.000	1	121.3290	0.057	4	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|H<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4180	0.000	2	121.3290	0.057	4	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.4650	0.000	1	119.9060	0.156	3	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1265	0.141	2	119.9060	0.156	3	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.8940	0.000	1	119.8940	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6580	0.000	1	120.6580	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<2>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<2>,1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[5,6a]C[6a])	121.1970	0.000	1	121.1970	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<2>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<2>,1|C<3>,1|H<1>,1|N<2>}	H(C[6a]C[5,6a]C[6a])	121.5540	0.000	1	120.6962	0.291	6	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<2>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<2>,1|H<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1580	0.000	1	120.6962	0.291	6	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<2>,2|C<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<2>,1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[5,6a]C[6a])	121.1230	0.000	1	120.6962	0.291	6	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,2|C<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[6a]C[5,6a]C[6a])	120.4473	0.176	3	120.6962	0.291	6	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7040	0.000	1	121.0377	0.053	17	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|O<2>,1|S<4>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2560	0.000	1	121.0377	0.053	17	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	121.1800	0.000	1	121.0377	0.053	17	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	120.6970	0.000	1	121.0377	0.053	17	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	120.8425	0.101	2	121.0377	0.053	17	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0966	0.241	8	121.0377	0.053	17	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|H<1>,1|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1870	0.000	1	121.0377	0.053	17	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0795	0.033	2	121.0377	0.053	17	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C){1|H<1>,1|O<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3920	0.000	1	121.3920	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0570	0.000	1	121.0498	0.098	6	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	120.7795	0.069	2	121.0498	0.098	6	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	121.2770	0.478	2	121.0498	0.098	6	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1290	0.000	1	121.0498	0.098	6	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	119.8140	0.000	1	119.4190	0.119	3	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.2215	0.067	2	119.4190	0.119	3	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.7880	0.000	1	119.7493	0.066	3	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9840	0.000	1	119.7493	0.066	3	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.4760	0.000	1	119.7493	0.066	3	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9760	0.000	1	119.9760	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4000	0.092	2	120.4427	0.010	3	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	120.5280	0.000	1	120.4427	0.010	3	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4130	0.000	1	120.3838	0.053	14	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	120.3815	0.239	13	120.3838	0.053	14	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|B<4>,1|C<3>,1|H<1>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	120.7610	0.000	1	120.7610	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	119.5650	0.000	1	119.5835	0.001	2	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	119.6020	0.000	1	119.5835	0.001	2	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4690	0.000	1	120.4690	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]N[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	120.2940	0.000	1	120.2940	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	119.6060	0.000	1	119.6060	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]H){2|C<3>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	120.0140	0.000	1	120.0140	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7700	0.517	3	120.7700	0.268	3	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|Se<3>,1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.5860	0.000	1	119.5860	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]O[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,2|O<1>,2|O<2>}	C[5,6a](C[5,6a]O[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.7405	0.145	2	120.7405	0.021	2	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]C){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.6240	0.000	1	121.6240	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){1|Cl<1>,1|C<4>,1|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5275	0.037	2	120.5275	0.001	2	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<2>,1|C<3>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Br<1>,1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8920	0.000	1	120.8920	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0690	0.069	2	121.1673	0.031	3	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Cl<1>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3640	0.000	1	121.1673	0.031	3	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Cl<1>,1|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6160	0.000	1	121.5300	0.015	5	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4310	0.000	1	121.5300	0.015	5	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Cl<1>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.5343	0.147	3	121.5300	0.015	5	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Cl)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){2|Cl<1>,1|C<3>,1|C<4>,1|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Cl){3|Cl<1>,1|C<3>,1|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3730	0.000	1	121.3730	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2660	0.079	2	121.3563	0.028	3	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|C<3>,1|C<4>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|Cl<1>,1|Ni<6>,1|C<3>,1|H<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	121.5370	0.000	1	121.3563	0.028	3	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2900	0.250	4	121.5660	0.220	6	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	122.1340	0.000	1	121.5660	0.220	6	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	122.1020	0.000	1	121.5660	0.220	6	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	122.4280	0.000	1	122.4280	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	121.3990	0.000	1	121.2970	1.055	4	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|Cl<1>,1|H<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	119.8150	0.000	1	121.2970	1.055	4	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	121.9870	0.069	2	121.2970	1.055	4	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	120.8588	0.475	4	120.8887	0.138	6	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9485	0.015	2	120.8887	0.138	6	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]I)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|I<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]I){1|Cl<1>,1|H<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4560	0.000	1	121.4560	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	121.4010	0.000	1	121.4000	0.008	6	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3998	0.101	5	121.4000	0.008	6	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	121.4359	0.400	7	121.1118	1.067	10	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2310	0.000	1	121.1118	1.067	10	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Cl<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	118.3300	0.000	1	121.1118	1.067	10	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	121.5060	0.000	1	121.1118	1.067	10	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]C){1|Cl<1>,1|C<3>,1|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4995	0.441	2	121.4995	0.194	2	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	121.2790	0.110	2	121.2790	0.012	2	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3895	0.030	2	121.3895	0.001	2	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	121.1250	0.000	1	121.2140	0.016	2	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	121.3030	0.000	1	121.2140	0.016	2	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	121.9820	0.000	1	121.9820	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|F<1>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	122.0130	0.006	2	121.9247	0.023	3	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|F<1>,1|H<1>,1|S<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.7480	0.000	1	121.9247	0.023	3	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2){1|F<1>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0730	0.000	1	121.0730	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	121.3873	0.138	3	121.3938	0.011	5	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|F<1>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4035	0.087	2	121.3938	0.011	5	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|F<1>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7652	0.202	9	121.7579	0.037	10	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|H<1>,2|C<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|F<1>,1|H<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.6920	0.000	1	121.7579	0.037	10	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|F<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|F<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4190	0.000	1	121.5110	2.366	14	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	120.9936	2.059	7	121.5110	2.366	14	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|F<1>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.2142	0.482	5	121.5110	2.366	14	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|F<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7090	0.000	1	121.5110	2.366	14	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|F<1>,1|H<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.9980	0.000	1	121.9980	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<4>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Ni<6>,1|C<3>,1|F<1>,1|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	121.9500	0.000	1	121.9500	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|Se<2>,1|C<3>,1|F<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|F<1>,1|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9275	0.228	2	120.9275	0.052	2	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]As[5]C[6a])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|As<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]As[5]C[6a])(C[6a]C[6a]H)(C[5]C[5]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1050	0.156	2	120.1050	0.024	2	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]As[5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|As<3>,1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]As[5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4120	0.000	1	120.4120	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]C){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9020	0.000	1	120.9020	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6940	0.000	1	120.6940	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3625	0.170	2	121.3625	0.029	2	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]C){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0790	0.267	2	120.8548	0.090	6	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]C){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6670	0.000	1	120.8548	0.090	6	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]C){1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1510	0.000	1	120.8548	0.090	6	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]C){1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5765	0.040	2	120.8548	0.090	6	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7070	0.000	1	120.7344	0.068	5	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8970	0.000	1	120.7344	0.068	5	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]H){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6570	0.000	1	120.7344	0.068	5	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]H){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7055	0.487	2	120.7344	0.068	5	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]I)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|I<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]I){2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7350	0.000	1	120.7350	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]O){3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8430	0.000	1	120.8868	0.006	4	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<1>,2|H<1>,2|S<2>}	H(C[6a]C[5,6a]C[6a])	120.9410	0.000	1	120.8868	0.006	4	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]O){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8815	0.117	2	120.8868	0.006	4	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]C){1|Pt<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8400	0.000	1	120.8400	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8320	0.000	1	120.8320	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3230	0.000	1	120.9372	0.307	20	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	118.7180	0.000	1	120.9372	0.307	20	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9500	0.000	1	120.9372	0.307	20	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2697	0.159	3	120.9372	0.307	20	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.0253	0.108	3	120.9372	0.307	20	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8857	0.060	3	120.9372	0.307	20	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9660	0.000	1	120.9372	0.307	20	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0370	0.000	1	120.9372	0.307	20	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1140	0.000	1	120.9372	0.307	20	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1287	0.250	3	120.9372	0.307	20	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7320	0.000	1	120.9372	0.307	20	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9750	0.000	1	120.9372	0.307	20	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3510	0.000	1	120.9051	0.796	7	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5267	1.397	3	120.9051	0.796	7	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3330	0.000	1	120.9051	0.796	7	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9190	0.000	1	120.9051	0.796	7	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1530	0.000	1	120.9051	0.796	7	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]N[6a])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[5,5]N[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.7500	0.000	1	121.7500	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]C){1|B<4>,1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5075	0.101	2	120.5660	0.334	7	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]C){2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5894	0.704	5	120.5660	0.334	7	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]H){1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6590	0.013	2	120.9138	0.098	6	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]H){1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0412	0.314	4	120.9138	0.098	6	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]I)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|I<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]I){2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8865	0.077	2	120.8865	0.006	2	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7110	0.000	1	120.7090	0.000	2	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	H(C[6a]C[5,6a]C[6a])	120.7070	0.000	1	120.7090	0.000	2	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4930	0.000	1	121.0597	0.055	71	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8165	0.166	2	121.0597	0.055	71	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0467	0.156	19	121.0597	0.055	71	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|N<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0656	0.277	27	121.0597	0.055	71	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1181	0.210	8	121.0597	0.055	71	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1080	0.217	14	121.0597	0.055	71	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6090	0.000	1	121.3933	0.659	47	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	122.9730	2.821	2	121.3933	0.659	47	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3328	0.657	40	121.3933	0.659	47	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9680	0.000	1	121.3933	0.659	47	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2173	0.180	3	121.3933	0.659	47	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]S[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<2>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]S[5]N){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4517	0.053	3	120.4517	0.003	3	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]S[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|S<2>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]S[5]O){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4520	0.201	2	120.4520	0.040	2	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]S[5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|S<1>,1|S<2>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]S[5]S){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.5940	0.000	1	119.5940	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]Se[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]Se[5]O){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.7250	0.000	1	119.7250	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5600	0.000	1	120.8023	0.044	3	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9235	0.008	2	120.8023	0.044	3	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	121.0627	0.056	6	121.0325	0.031	32	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.9020	0.000	1	121.0325	0.031	32	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9073	0.180	7	121.0325	0.031	32	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2390	0.000	1	121.0325	0.031	32	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Cl<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9610	0.000	1	121.0325	0.031	32	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H){1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1400	0.075	3	121.0325	0.031	32	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H){1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0900	0.000	1	121.0325	0.031	32	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H){2|Cl<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2250	0.000	1	121.0325	0.031	32	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H){2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0433	0.218	11	121.0325	0.031	32	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]H){1|C<3>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8970	0.202	2	121.0335	0.039	4	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1700	0.045	2	121.0335	0.039	4	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]B[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]B[5]C){1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.0155	0.057	2	120.0155	0.003	2	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){2|C<3>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0905	0.340	6	120.5319	0.602	40	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){1|C<3>,2|N<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	119.4110	0.000	1	120.5319	0.602	40	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){1|C<4>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3623	0.106	4	120.5319	0.602	40	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){1|C<3>,2|C<4>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2070	0.000	1	120.5319	0.602	40	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){1|C<3>,3|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8990	0.000	1	120.5319	0.602	40	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){1|C<4>,2|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2678	0.182	8	120.5319	0.602	40	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){1|C<4>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9640	0.000	1	120.5319	0.602	40	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){1|Re<8>,1|C<3>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0470	0.000	1	120.5319	0.602	40	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){2|C<3>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4412	0.062	6	120.5319	0.602	40	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4930	0.594	2	120.5319	0.602	40	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2260	0.000	1	120.5319	0.602	40	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1470	0.000	1	120.5319	0.602	40	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){2|C<3>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	122.7323	0.513	3	120.5319	0.602	40	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2){2|C<3>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1028	0.080	4	120.5319	0.602	40	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]B)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]B){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0150	0.000	1	120.4447	0.141	3	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]B)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]B){1|C<3>,1|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6595	0.076	2	120.4447	0.141	3	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Br)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Br){1|Br<1>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8360	0.000	1	120.8360	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<2>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1725	0.288	2	120.6273	0.492	128	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8760	0.000	1	120.6273	0.492	128	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1020	0.000	1	120.6273	0.492	128	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7280	0.000	1	120.6273	0.492	128	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4170	0.000	1	120.6273	0.492	128	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6020	0.000	1	120.6273	0.492	128	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2270	0.000	1	120.6273	0.492	128	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9100	0.233	2	120.6273	0.492	128	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|B<3>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3940	0.000	1	120.6273	0.492	128	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|N<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7580	0.000	1	120.6273	0.492	128	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4000	0.191	3	120.6273	0.492	128	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7300	0.000	1	120.6273	0.492	128	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5490	0.000	1	120.6273	0.492	128	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7724	0.140	5	120.6273	0.492	128	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8490	0.000	1	120.6273	0.492	128	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6475	0.315	2	120.6273	0.492	128	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0460	0.000	1	120.6273	0.492	128	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Pd<5>,1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4990	3.135	2	120.6273	0.492	128	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Si<4>,1|C<2>,1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4235	0.704	2	120.6273	0.492	128	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Si<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5870	0.000	1	120.6273	0.492	128	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1100	0.000	1	120.6273	0.492	128	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1990	0.000	1	120.6273	0.492	128	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1280	0.000	1	120.6273	0.492	128	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6210	0.453	2	120.6273	0.492	128	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6240	0.000	1	120.6273	0.492	128	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|B<4>,1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4920	0.000	1	120.6273	0.492	128	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7870	0.000	1	120.6273	0.492	128	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8200	0.000	1	120.6273	0.492	128	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9020	0.000	1	120.6273	0.492	128	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|N<2>,2|C<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6340	0.000	1	120.6273	0.492	128	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8020	0.000	1	120.6273	0.492	128	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6100	0.146	7	120.6273	0.492	128	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5280	0.044	2	120.6273	0.492	128	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5750	0.000	1	120.6273	0.492	128	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6790	0.000	1	120.6273	0.492	128	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9397	0.242	3	120.6273	0.492	128	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|P<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6145	0.091	2	120.6273	0.492	128	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Pd<10>,1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8700	0.403	2	120.6273	0.492	128	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Ru<6>,1|C<3>,1|C<5>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4920	0.000	1	120.6273	0.492	128	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7010	0.000	1	120.6273	0.492	128	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|B<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2720	0.000	1	120.6273	0.492	128	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5840	0.184	2	120.6273	0.492	128	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|I<1>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9510	0.000	1	120.6273	0.492	128	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|S<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7270	0.000	1	120.6273	0.492	128	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	120.7010	0.000	1	120.6273	0.492	128	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5960	0.000	1	120.6273	0.492	128	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0390	0.000	1	120.6273	0.492	128	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Cl<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0570	0.066	2	120.6273	0.492	128	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|I<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5530	0.000	1	120.6273	0.492	128	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Ir<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7030	0.076	2	120.6273	0.492	128	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9392	0.350	16	120.6273	0.492	128	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Pd<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5798	0.379	4	120.6273	0.492	128	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Rh<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8060	0.000	1	120.6273	0.492	128	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Si<4>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5620	0.065	2	120.6273	0.492	128	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6345	0.242	13	120.6273	0.492	128	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5156	0.491	12	120.6273	0.492	128	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1820	0.000	1	120.6273	0.492	128	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8045	0.194	2	120.6273	0.492	128	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Cl<1>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	114.7350	0.000	1	120.6273	0.492	128	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Zr<14>,1|C<3>,1|C<5>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1180	0.000	1	120.4743	0.571	83	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|B<3>,1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4250	0.000	1	120.4743	0.571	83	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Si<4>,1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7700	0.000	1	120.4743	0.571	83	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|B<3>,1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7515	0.182	2	120.4743	0.571	83	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7860	0.069	2	120.4743	0.571	83	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8988	0.849	6	120.4743	0.571	83	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|N<3>,1|P<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7005	0.008	4	120.4743	0.571	83	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|N<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	122.2600	0.000	1	120.4743	0.571	83	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|P<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0952	0.883	4	120.4743	0.571	83	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|P<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	119.8750	1.000	2	120.4743	0.571	83	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	118.7530	0.000	1	120.4743	0.571	83	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7930	0.000	1	120.4743	0.571	83	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2890	0.000	1	120.4743	0.571	83	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Cr<4>,1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4250	0.000	1	120.4743	0.571	83	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Ir<7>,1|C<3>,1|N<3>,1|P<5>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3370	0.000	1	120.4743	0.571	83	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0610	0.000	1	120.4743	0.571	83	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0110	0.211	3	120.4743	0.571	83	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|P<4>,1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7660	0.000	1	120.4743	0.571	83	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Pd<4>,1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6830	0.000	1	120.4743	0.571	83	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Pd<7>,1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3030	0.000	1	120.4743	0.571	83	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Rh<7>,1|C<3>,1|N<3>,1|P<5>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1930	0.000	2	120.4743	0.571	83	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Ru<8>,1|C<3>,1|N<3>,1|P<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2520	0.070	4	120.4743	0.571	83	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Si<4>,1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6560	0.000	1	120.4743	0.571	83	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Si<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7500	0.000	2	120.4743	0.571	83	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5122	0.133	8	120.4743	0.571	83	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3615	0.554	2	120.4743	0.571	83	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7160	0.000	1	120.4743	0.571	83	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	122.7850	0.000	1	120.4743	0.571	83	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|N<3>,1|P<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9047	0.008	3	120.4743	0.571	83	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|N<4>,1|P<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2040	0.163	5	120.4743	0.571	83	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|P<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2710	0.000	1	120.4743	0.571	83	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|P<4>,1|S<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.8900	0.000	1	120.4743	0.571	83	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|P<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1217	0.164	3	120.4743	0.571	83	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,2|H<1>,2|P<4>}	H(C[6a]C[5,6a]C[6a])	120.0460	0.160	2	120.4743	0.571	83	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8070	0.404	2	120.4743	0.571	83	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Si<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8050	0.000	1	120.4743	0.571	83	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	118.6477	1.691	3	120.4743	0.571	83	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6734	0.244	5	120.4743	0.571	83	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]I)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|I<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]I){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3920	0.000	1	120.7075	0.199	2	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]I)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|I<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]I){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0230	0.000	1	120.7075	0.199	2	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8130	0.000	1	121.0528	0.703	39	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6598	0.050	4	121.0528	0.703	39	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	123.9960	0.000	1	121.0528	0.703	39	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	124.9090	0.000	1	121.0528	0.703	39	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7530	0.035	2	121.0528	0.703	39	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7650	0.000	1	121.0528	0.703	39	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9770	0.000	1	121.0528	0.703	39	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9320	0.000	1	121.0528	0.703	39	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2470	0.000	1	121.0528	0.703	39	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|N<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|O<2>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5130	0.000	1	121.0528	0.703	39	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<2>,1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8850	0.000	1	121.0528	0.703	39	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5810	0.024	2	121.0528	0.703	39	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9250	0.000	1	121.0528	0.703	39	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|S<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8690	0.065	2	121.0528	0.703	39	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7815	0.043	2	121.0528	0.703	39	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0750	0.141	4	121.0528	0.703	39	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0481	0.219	8	121.0528	0.703	39	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2480	0.000	1	121.0528	0.703	39	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]N){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8895	0.106	4	121.0528	0.703	39	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7535	0.264	2	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6132	0.176	4	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|N<3>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5770	0.000	1	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|S<2>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5340	0.119	3	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9120	0.758	2	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.3180	0.000	1	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|S<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5760	0.000	1	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3770	0.000	1	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	118.6160	0.000	1	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5495	0.477	2	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|C<3>,1|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9745	0.182	4	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|Cl<1>,1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1480	0.000	1	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9440	0.000	1	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|F<1>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9953	0.282	3	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6205	0.599	2	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9499	0.138	10	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|N<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8070	0.000	1	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9830	0.000	1	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<2>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2830	0.000	1	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|S<2>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1830	0.000	1	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8440	0.000	1	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8225	0.086	2	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0995	0.097	2	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	121.1440	0.000	1	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0278	0.135	9	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7440	0.000	1	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Cl<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7480	0.000	1	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|F<1>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8580	0.000	1	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|F<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7340	0.000	1	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9610	0.000	1	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|N<3>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0010	0.000	1	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|S<2>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1520	0.000	1	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Se<2>,1|C<3>,1|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8417	0.153	3	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|Br<1>,1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8280	0.000	1	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4470	0.031	2	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2082	0.329	5	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8820	0.187	4	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6910	0.000	1	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6950	0.000	1	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5365	0.136	2	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7060	0.000	1	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<2>,1|C<3>,1|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7250	0.000	1	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9500	0.000	1	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8130	0.000	1	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1400	0.131	18	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1715	0.154	4	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0430	0.000	1	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|N<2>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	118.2470	0.000	1	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2805	0.037	2	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1047	0.240	10	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	H(C[6a]C[5,6a]C[6a])	121.0875	0.144	4	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	121.0485	0.322	4	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3437	0.082	7	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9600	0.307	2	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0923	0.754	4	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6935	0.527	2	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9785	0.320	2	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9958	0.427	5	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2750	0.064	2	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0200	0.256	2	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8892	1.458	17	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0915	0.039	2	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0290	0.000	1	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|P<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7860	0.000	1	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|S<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0520	0.000	1	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6793	1.025	32	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9683	0.224	18	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|P<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1553	0.328	3	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1560	0.000	1	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|I<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4730	0.083	2	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	118.5620	0.000	1	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2690	0.000	1	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0810	0.000	1	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8480	0.000	1	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,2|S<2>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5050	0.000	1	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<2>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7430	0.000	1	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5670	0.288	2	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6610	0.000	1	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|F<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8110	0.000	1	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0450	0.000	1	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0270	0.130	6	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1156	0.238	8	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1714	0.639	5	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8893	0.296	8	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2405	1.592	6	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9180	0.000	1	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0785	0.015	2	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<1>,1|S<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3083	0.090	6	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,2|H<1>,2|S<2>}	H(C[6a]C[5,6a]C[6a])	121.0030	0.000	1	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7245	0.326	4	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|I<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0660	0.000	1	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3582	1.099	8	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0284	0.537	66	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0491	0.241	7	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|P<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7570	0.000	1	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1130	0.000	1	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|S<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0035	0.037	2	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Si<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9410	0.000	1	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0634	0.172	7	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0287	0.775	22	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3936	0.164	5	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9210	0.000	1	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0840	0.000	1	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7094	1.253	7	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4633	0.143	3	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7670	0.000	1	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8600	0.000	1	120.9203	0.434	429	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	115.5895	6.906	2	120.2060	1.568	66	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4160	0.000	1	120.2060	1.568	66	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|B<4>,1|C<3>,1|S<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6610	0.000	1	120.2060	1.568	66	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,1|C<4>,1|P<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0970	0.000	1	120.2060	1.568	66	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,1|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4303	0.682	3	120.2060	1.568	66	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,1|N<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1237	0.217	7	120.2060	1.568	66	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,1|N<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4273	0.329	14	120.2060	1.568	66	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,1|O<2>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2243	0.224	6	120.2060	1.568	66	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,1|P<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8970	0.000	1	120.2060	1.568	66	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,1|S<2>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8535	0.511	2	120.2060	1.568	66	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,1|S<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7293	0.114	3	120.2060	1.568	66	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7190	0.069	3	120.2060	1.568	66	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|Pd<4>,1|C<3>,1|C<4>,1|P<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5690	0.184	2	120.2060	1.568	66	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|Pd<4>,1|C<3>,1|P<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9790	0.000	1	120.2060	1.568	66	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|Si<3>,1|C<3>,1|S<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3210	0.000	1	120.2060	1.568	66	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4450	0.000	1	120.2060	1.568	66	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	119.7700	0.000	1	120.2060	1.568	66	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,1|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.5087	0.017	3	120.2060	1.568	66	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,1|N<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2376	0.378	5	120.2060	1.568	66	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,1|P<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0670	0.269	2	120.2060	1.568	66	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,1|S<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0330	0.000	1	120.2060	1.568	66	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1777	0.207	3	120.2060	1.568	66	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]P){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3705	0.354	2	120.2060	1.568	66	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Ru)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Ru<5>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Ru){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1130	0.000	1	120.6062	0.162	27	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Ru)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Ru<5>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Ru){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5858	0.414	24	120.6062	0.162	27	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Ru)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Ru<6>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Ru){2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5975	0.026	2	120.6062	0.162	27	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]S){1|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9770	0.000	1	120.8999	0.054	8	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]S){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8840	0.000	1	120.8999	0.054	8	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]S){1|C<3>,1|O<1>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1560	0.000	1	120.8999	0.054	8	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]S){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5545	0.122	2	120.8999	0.054	8	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]S){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9880	0.021	2	120.8999	0.054	8	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]S){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0970	0.000	1	120.8999	0.054	8	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Si)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Si){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4390	0.000	1	120.0987	0.060	4	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Si)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Si){1|Si<4>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9853	0.116	3	120.0987	0.060	4	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]2)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]2){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7190	0.129	2	120.7190	0.017	2	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0320	0.248	3	121.0021	0.173	73	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8032	0.204	6	121.0021	0.173	73	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|Cl<1>,1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7405	0.052	2	121.0021	0.173	73	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0524	0.314	5	121.0021	0.173	73	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2314	0.754	15	121.0021	0.173	73	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7133	0.119	7	121.0021	0.173	73	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8595	0.021	2	121.0021	0.173	73	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0228	0.224	26	121.0021	0.173	73	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0090	0.317	6	121.0021	0.173	73	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6a]C[5,6a]C[6a])	120.6640	0.000	1	121.0021	0.173	73	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Cl)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Cl){2|Cl<1>,1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5450	0.000	1	121.1677	0.107	3	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Cl)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Cl){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9790	0.008	2	121.1677	0.107	3	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Cu)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cu<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Cu){2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1070	0.000	1	121.1070	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|N<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1530	0.000	1	121.3555	0.305	108	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|Cd<6>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5020	0.433	2	121.3555	0.305	108	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|Cd<6>,1|C<3>,2|H<1>,2|N<2>}	H(C[6a]C[5,6a]C[6a])	121.4495	0.252	2	121.3555	0.305	108	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|Co<6>,1|C<3>,1|N<2>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6360	0.000	2	121.3555	0.305	108	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|Co<6>,1|C<3>,2|H<1>,2|N<2>}	H(C[6a]C[5,6a]C[6a])	121.4560	0.168	2	121.3555	0.305	108	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|Fe<5>,1|C<3>,1|N<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7890	0.000	1	121.3555	0.305	108	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|Fe<6>,1|C<3>,2|H<1>,2|N<2>}	H(C[6a]C[5,6a]C[6a])	121.3175	0.029	2	121.3555	0.305	108	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|Ir<9>,1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8820	0.000	1	121.3555	0.305	108	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|Ni<4>,1|C<3>,1|N<2>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0705	0.005	2	121.3555	0.305	108	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|Pd<4>,1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1420	0.000	1	121.3555	0.305	108	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|Zn<4>,1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2440	0.106	2	121.3555	0.305	108	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9465	0.008	2	121.3555	0.305	108	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0755	0.194	2	121.3555	0.305	108	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5510	0.000	1	121.3555	0.305	108	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|Zn<5>,1|C<3>,1|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5030	0.000	1	121.3555	0.305	108	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0494	0.156	9	121.3555	0.305	108	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3580	0.000	1	121.3555	0.305	108	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1020	0.295	4	121.3555	0.305	108	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3370	0.154	11	121.3555	0.305	108	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|Cu<4>,1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3340	0.000	1	121.3555	0.305	108	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6650	0.072	2	121.3555	0.305	108	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|Pd<4>,1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1630	0.000	1	121.3555	0.305	108	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|Re<6>,1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7930	0.200	6	121.3555	0.305	108	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2550	0.117	3	121.3555	0.305	108	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5989	0.890	31	121.3555	0.305	108	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2120	0.195	11	121.3555	0.305	108	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2667	0.258	3	121.3555	0.305	108	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0130	0.000	1	121.3555	0.305	108	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5630	0.000	1	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8735	0.230	2	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1730	0.103	3	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9350	0.086	2	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2410	0.000	1	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9470	0.102	2	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3350	0.000	1	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<2>,1|F<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1860	0.000	1	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1510	0.091	2	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.8560	0.000	1	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4311	0.241	8	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2163	0.189	11	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2047	0.115	3	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,2|F<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6310	0.000	1	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	120.6750	0.981	2	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0720	0.437	24	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	129.6190	0.000	1	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1791	2.803	11	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<2>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6840	0.000	1	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1376	0.223	5	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9460	0.000	1	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8492	0.805	5	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0550	0.000	1	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8836	0.653	12	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2573	0.069	3	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3653	0.723	3	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2460	0.295	10	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	122.0730	0.000	1	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|S<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2586	0.183	5	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9858	0.154	5	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,2|H<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	121.0045	0.037	2	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1366	0.278	30	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1457	0.406	6	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5330	0.000	1	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|S<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5890	0.000	1	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3350	0.000	1	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9680	0.000	1	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3240	0.000	1	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2895	0.269	2	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7930	0.000	1	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2480	0.000	1	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2605	0.054	2	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0400	0.000	1	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1990	0.000	1	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1260	0.000	1	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8860	0.000	1	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|B<4>,1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4155	0.129	2	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|B<6>,1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.1852	1.725	8	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	121.8906	0.295	13	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6a]C[5,6a]C[6a])	122.2060	0.000	1	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2358	0.155	5	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2010	0.000	1	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3175	0.788	700	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6135	0.104	2	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|N<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6820	0.000	1	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2868	0.516	40	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0676	1.047	56	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1427	0.832	48	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<1>,1|P<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0892	0.632	4	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<1>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4177	0.274	49	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<1>,1|S<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6175	0.165	2	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	122.0353	1.222	8	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,2|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	121.3870	0.184	2	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0155	0.836	15	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Cu<4>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4560	0.000	1	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Cu<4>,1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6000	0.000	1	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3997	0.388	4	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|H<1>,1|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3370	0.000	1	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9770	0.255	2	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1898	0.159	5	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3200	0.594	155	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0210	0.137	2	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Pd<4>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2680	0.000	1	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Pd<4>,1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4977	0.129	12	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Pd<4>,1|C<3>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3895	0.069	2	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Pd<6>,1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.4320	0.000	1	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Pt<4>,1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.1470	0.450	2	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Re<6>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6395	0.210	6	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|S<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5170	0.000	1	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Se<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9560	0.000	1	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1636	0.159	27	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1396	0.153	7	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7785	0.180	2	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Pd<4>,1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4695	0.045	2	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2400	0.000	1	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1308	0.234	5	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8667	0.199	3	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6980	0.000	1	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8750	0.000	1	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1750	0.221	18	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1088	0.269	4	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0876	0.885	14	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0930	0.652	2	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2843	0.163	4	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7607	0.440	3	121.2799	0.618	1430	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]S){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7690	0.000	1	121.7690	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Se)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Se<1>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Se){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8850	0.000	1	121.8850	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C){1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7790	0.000	1	121.1091	0.111	12	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7890	0.000	1	121.1091	0.111	12	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(C[6a]C[5,6a]C[6a])	121.6830	0.000	1	121.1091	0.111	12	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C){1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1176	0.292	9	121.1091	0.111	12	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]N){1|C<2>,1|C<3>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2770	0.000	1	121.2165	0.079	13	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]N){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4667	0.331	3	121.2165	0.079	13	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]N){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1500	0.000	1	121.2165	0.079	13	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]N){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0137	0.189	6	121.2165	0.079	13	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]N){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4800	0.000	1	121.2165	0.079	13	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]N){1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4250	0.000	1	121.2165	0.079	13	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0460	0.317	2	121.1795	0.751	121	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3950	0.000	1	121.1795	0.751	121	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4500	0.098	2	121.1795	0.751	121	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3560	0.062	6	121.1795	0.751	121	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|N<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5850	0.000	1	121.1795	0.751	121	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0923	1.164	44	121.1795	0.751	121	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3385	0.312	4	121.1795	0.751	121	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2605	0.033	2	121.1795	0.751	121	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3390	0.000	1	121.1795	0.751	121	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2371	0.296	7	121.1795	0.751	121	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|Cl<1>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0210	0.000	1	121.1795	0.751	121	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|H<1>,2|C<3>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	121.6840	0.000	1	121.1795	0.751	121	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9900	0.000	1	121.1795	0.751	121	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2410	0.000	1	121.1795	0.751	121	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3333	0.164	10	121.1795	0.751	121	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2480	0.209	6	121.1795	0.751	121	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|Br<1>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5410	0.167	2	121.1795	0.751	121	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9230	0.000	1	121.1795	0.751	121	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3160	0.000	1	121.1795	0.751	121	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9795	0.015	2	121.1795	0.751	121	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3028	0.141	4	121.1795	0.751	121	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3550	0.423	2	121.1795	0.751	121	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3970	0.000	1	121.1795	0.751	121	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2210	0.000	1	121.1795	0.751	121	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2990	0.158	2	121.1795	0.751	121	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	116.3020	0.000	1	121.1795	0.751	121	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	122.1855	0.170	2	121.1795	0.751	121	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5680	0.000	1	121.1795	0.751	121	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3681	0.111	10	121.1795	0.751	121	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5780	0.000	1	121.1795	0.751	121	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]P[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|P<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]P[5]H){1|Cr<6>,1|C<3>,1|P<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9910	0.000	1	119.9910	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]P[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,1|P<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]P[5]O){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	118.3710	2.268	2	118.3710	5.146	2	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]P[5]P)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]P[5]P){1|Cr<6>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.8280	0.000	1	119.8280	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|S<1>,1|S<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]S){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	116.6020	0.000	1	116.6020	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Ge[5])(C[6a]C[6a]H)(C[5]O[5]Cr)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cr<6>,1|Ge<4>,1|C<3>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]Ge[5])(C[6a]C[6a]H)(C[5]O[5]Cr){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.5730	0.000	1	119.5730	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Ge[5])(C[6a]C[6a]H)(C[5]O[5]Mo)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Ge<4>,1|Mo<6>,1|C<3>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]Ge[5])(C[6a]C[6a]H)(C[5]O[5]Mo){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.7730	0.000	1	119.7730	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Ge[5])(C[6a]C[6a]H)(C[5]O[5]W)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Ge<4>,1|C<3>,1|H<1>,1|O<2>,1|W<6>}	C[5,6a](C[5,6a]C[6a]Ge[5])(C[6a]C[6a]H)(C[5]O[5]W){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.8540	0.000	1	119.8540	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|I<3>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<2>,1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.8190	0.000	1	120.0153	0.030	3	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|I<3>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0870	0.000	1	120.0153	0.030	3	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|I<5>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,2|H<1>,3|O<2>}	H(C[6a]C[5,6a]C[6a])	120.1400	0.000	1	120.0153	0.030	3	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2){3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4060	0.000	1	120.0449	0.081	8	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|S<2>}	H(C[6a]C[5,6a]C[6a])	120.2330	0.000	1	120.0449	0.081	8	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0910	0.000	1	120.0449	0.081	8	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.9303	0.166	3	120.0449	0.081	8	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2890	0.000	1	120.0449	0.081	8	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2){1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.5490	0.000	1	120.0449	0.081	8	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3960	0.284	2	120.3747	0.180	143	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2040	0.000	1	120.3747	0.180	143	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Si<4>,1|C<3>,1|C<6>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6800	0.000	1	120.3747	0.180	143	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0742	0.718	5	120.3747	0.180	143	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5070	0.000	1	120.3747	0.180	143	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|S<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7260	0.000	1	120.3747	0.180	143	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4520	0.000	1	120.3747	0.180	143	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4610	0.000	1	120.3747	0.180	143	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4525	0.165	2	120.3747	0.180	143	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4250	0.000	1	120.3747	0.180	143	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2920	0.000	1	120.3747	0.180	143	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5360	0.000	1	120.3747	0.180	143	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4266	0.642	44	120.3747	0.180	143	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1365	0.319	2	120.3747	0.180	143	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,1|S<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2450	0.000	1	120.3747	0.180	143	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3510	0.184	54	120.3747	0.180	143	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3482	0.218	17	120.3747	0.180	143	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7140	0.000	1	120.3747	0.180	143	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2690	0.050	4	120.3747	0.180	143	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1930	0.000	1	120.3747	0.180	143	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|S<6>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0910	0.000	1	120.3747	0.180	143	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Er<15>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1180	0.700	2	120.5145	0.362	10	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Sm<12>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6243	0.234	3	120.5145	0.362	10	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Y<11>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4715	0.904	2	120.5145	0.362	10	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Y<12>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2180	0.000	1	120.5145	0.362	10	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2170	0.000	1	120.5145	0.362	10	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6580	0.000	1	120.5145	0.362	10	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6770	0.000	1	120.7633	0.114	81	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2030	0.000	1	120.7633	0.114	81	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4450	0.000	1	120.7633	0.114	81	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6820	0.000	1	120.7633	0.114	81	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7187	0.179	28	120.7633	0.114	81	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8232	0.404	36	120.7633	0.114	81	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7167	0.489	3	120.7633	0.114	81	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4510	0.000	1	120.7633	0.114	81	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8973	0.197	3	120.7633	0.114	81	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9330	0.000	1	120.7633	0.114	81	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9775	0.339	4	120.7633	0.114	81	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9270	0.000	1	120.7633	0.114	81	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	118.0350	4.004	2	120.7113	0.610	134	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5370	0.000	1	120.7113	0.610	134	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7330	0.000	1	120.7113	0.610	134	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7150	0.000	1	120.7113	0.610	134	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9215	0.108	2	120.7113	0.610	134	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6230	0.000	1	120.7113	0.610	134	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2166	0.759	10	120.7113	0.610	134	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8597	0.133	3	120.7113	0.610	134	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9540	0.015	3	120.7113	0.610	134	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8628	0.100	4	120.7113	0.610	134	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9210	0.000	1	120.7113	0.610	134	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9130	0.033	2	120.7113	0.610	134	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8868	0.083	6	120.7113	0.610	134	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9667	0.155	3	120.7113	0.610	134	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8130	0.000	1	120.7113	0.610	134	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6370	0.000	1	120.7113	0.610	134	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3495	0.060	2	120.7113	0.610	134	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4420	0.000	1	120.7113	0.610	134	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	118.7160	0.000	1	120.7113	0.610	134	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|F<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5040	0.000	1	120.7113	0.610	134	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|F<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6200	0.000	1	120.7113	0.610	134	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.4770	0.000	1	120.7113	0.610	134	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8638	0.337	6	120.7113	0.610	134	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2210	0.000	1	120.7113	0.610	134	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5510	0.000	1	120.7113	0.610	134	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7813	0.638	39	120.7113	0.610	134	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|F<1>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0543	1.444	7	120.7113	0.610	134	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|I<1>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0860	0.000	1	120.7113	0.610	134	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5920	0.547	9	120.7113	0.610	134	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8255	0.298	2	120.7113	0.610	134	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8640	0.198	2	120.7113	0.610	134	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|Ru<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8470	0.164	2	120.7113	0.610	134	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|S<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0620	0.000	1	120.7113	0.610	134	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7243	0.222	9	120.7113	0.610	134	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9860	0.130	3	120.7113	0.610	134	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|I<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4720	0.000	1	120.7113	0.610	134	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5540	0.000	1	120.7113	0.610	134	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]S){1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4460	0.000	1	120.4460	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	116.4630	0.000	1	120.9296	3.091	9	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]C){1|Co<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9240	0.000	1	120.9296	3.091	9	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]C){1|Re<6>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6418	0.582	6	120.9296	3.091	9	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]C){1|Zn<5>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1280	0.000	1	120.9296	3.091	9	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Ru<6>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8500	0.000	1	121.0185	0.217	92	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7338	0.142	4	121.0185	0.217	92	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3293	0.374	4	121.0185	0.217	92	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Co<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0157	0.297	4	121.0185	0.217	92	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Cu<5>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9745	0.023	2	121.0185	0.217	92	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Cu<6>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9845	0.371	4	121.0185	0.217	92	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Fe<5>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	122.6020	0.000	1	121.0185	0.217	92	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Fe<6>,1|B<4>,1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9240	0.646	3	121.0185	0.217	92	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Fe<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0426	0.048	7	121.0185	0.217	92	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Ni<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3690	0.127	2	121.0185	0.217	92	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Os<10>,1|C<3>,1|C<5>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7990	0.000	1	121.0185	0.217	92	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Os<6>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9423	0.288	9	121.0185	0.217	92	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1333	0.323	9	121.0185	0.217	92	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Re<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8080	0.000	1	121.0185	0.217	92	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Re<6>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0207	0.343	4	121.0185	0.217	92	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Re<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1465	0.394	2	121.0185	0.217	92	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Rh<9>,1|B<4>,1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3550	0.341	2	121.0185	0.217	92	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Ru<6>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9222	0.668	26	121.0185	0.217	92	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Ru<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1990	0.000	1	121.0185	0.217	92	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){2|Al<4>,1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8750	0.000	1	121.0185	0.217	92	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){2|Re<6>,1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9543	0.180	4	121.0185	0.217	92	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]Pd)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|C<3>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]Pd){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8000	0.313	5	120.8000	0.098	5	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]Rh)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Rh<6>,1|C<3>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]Rh){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8110	0.000	1	120.8330	0.197	3	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]Rh)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Rh<6>,1|C<3>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]Rh){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8440	0.626	2	120.8330	0.197	3	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]O[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]O[5]N){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	118.2155	1.303	2	118.2155	1.698	2	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0010	0.000	1	120.5860	0.113	21	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4106	0.250	5	120.5860	0.113	21	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2490	0.000	1	120.5860	0.113	21	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7993	0.185	4	120.5860	0.113	21	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5401	0.174	8	120.5860	0.113	21	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7430	1.004	2	120.5860	0.113	21	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6865	0.278	2	120.9631	0.084	22	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0370	0.000	1	120.9631	0.084	22	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	121.2010	0.000	1	120.9631	0.084	22	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9780	0.000	1	120.9631	0.084	22	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1120	0.052	4	120.9631	0.084	22	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2710	0.000	1	120.9631	0.084	22	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9330	0.000	1	120.9631	0.084	22	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.7820	0.000	1	120.9631	0.084	22	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4360	0.000	1	120.9631	0.084	22	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7520	0.000	1	120.9631	0.084	22	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2420	0.000	1	120.9631	0.084	22	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8194	0.109	7	120.9631	0.084	22	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]Br)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|P<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]Br){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5070	0.000	1	120.5070	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]C){1|O<1>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9970	0.000	1	119.9970	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]Cl)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]Cl){2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3720	0.000	1	120.3720	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]Cr)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cr<6>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]Cr){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.8610	0.000	1	119.8610	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<2>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4165	0.090	2	120.4951	0.026	15	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5645	0.062	4	120.4951	0.026	15	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H){1|N<3>,1|W<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2080	0.000	1	120.4951	0.026	15	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4147	0.177	4	120.4951	0.026	15	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H){2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6320	0.038	2	120.4951	0.026	15	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H){2|Mn<6>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4370	0.000	1	120.4951	0.026	15	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]H){2|Mn<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7680	0.000	1	120.4951	0.026	15	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]Hf)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Hf<6>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]Hf){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1110	0.000	1	120.1110	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]Mo)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Mo<6>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]Mo){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9700	0.021	2	119.9700	0.000	2	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]Pt)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Pt<4>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]Pt){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2000	0.000	1	120.2000	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]Rh)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Rh<8>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]Rh){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9410	0.000	1	119.9410	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]Ru)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Ru<9>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]Ru){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0670	0.000	1	120.0670	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7180	0.000	1	120.7180	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|P<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2410	0.000	1	120.2410	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|P<4>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0395	0.332	2	121.0662	0.041	4	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|P<4>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0180	0.000	1	121.0662	0.041	4	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|P<4>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Pd<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1680	0.000	1	121.0662	0.041	4	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]2)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]2){1|S<4>,2|H<1>,2|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5970	0.000	1	120.5970	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]B)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|S<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]B){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0040	0.000	1	120.0040	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,2|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	120.1570	0.867	2	120.3175	0.287	4	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|S<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	120.4780	0.083	2	120.3175	0.287	4	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|S<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Cu<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4580	0.000	1	120.4052	0.036	6	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|S<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Rh<4>,1|C<3>,1|P<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0590	0.000	1	120.4052	0.036	6	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|S<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	120.4387	0.092	3	120.4052	0.036	6	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|S<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]H){2|C<3>,2|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	120.5980	0.000	1	120.4052	0.036	6	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5430	0.000	1	120.4957	0.476	19	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O){1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	117.7090	0.000	1	120.4957	0.476	19	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5942	0.130	10	120.4957	0.476	19	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,1|S<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7525	0.143	6	120.4957	0.476	19	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,1|S<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7090	0.000	1	120.4957	0.476	19	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<4>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,2|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	121.3130	0.000	1	120.9428	0.168	10	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<4>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,2|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4795	0.367	2	120.9428	0.168	10	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6490	0.000	1	120.9428	0.168	10	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,2|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	120.9460	0.129	3	120.9428	0.168	10	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C){1|Zn<5>,1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6680	0.000	1	120.9428	0.168	10	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	120.5005	0.282	2	120.9428	0.168	10	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<4>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,2|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	120.8529	0.404	10	120.8519	0.147	11	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|N<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,2|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	120.8420	0.000	1	120.8519	0.147	11	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|S<4>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0100	0.000	1	120.9136	0.829	207	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|S<4>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,2|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	120.8293	0.704	73	120.9136	0.829	207	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,1|S<4>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,2|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	120.9046	2.100	16	120.9136	0.829	207	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<4>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Br<1>,1|C<3>,2|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	120.9780	0.167	3	120.9136	0.829	207	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<4>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	120.8487	0.523	41	120.9136	0.829	207	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<4>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|I<1>,2|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	120.7000	0.421	9	120.9136	0.829	207	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<4>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,2|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2964	1.196	25	120.9136	0.829	207	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<4>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Mn<6>,1|C<3>,2|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	121.7665	1.381	2	120.9136	0.829	207	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<4>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Ni<6>,1|C<3>,2|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	121.0430	0.000	1	120.9136	0.829	207	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<4>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Pd<3>,1|C<3>,2|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	120.9450	0.045	2	120.9136	0.829	207	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<4>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Pd<4>,1|C<3>,2|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	120.9652	0.464	18	120.9136	0.829	207	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<4>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Sn<5>,1|C<3>,2|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	119.9270	0.000	1	120.9136	0.829	207	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<4>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,2|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	120.6718	1.000	9	120.9136	0.829	207	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,1|S<4>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Pd<4>,1|C<3>,2|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	121.1398	0.294	6	120.9136	0.829	207	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>,1|S<4>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]S){1|C<3>,2|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	121.0210	0.368	3	121.0210	0.135	3	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]O[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<1>,1|O<2>,1|S<4>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]O[5]N){1|C<3>,2|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	120.9150	0.000	2	120.9150	0.000	2	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]S[5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<1>,2|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]S[5]S){1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.4085	0.479	2	119.4085	0.229	2	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|Se<2>,1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.5730	0.000	1	119.5730	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]C[5]H){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.5300	0.000	1	119.5300	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]C[5]Pt)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Pt<4>,1|Se<2>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]C[5]Pt){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.6673	0.336	3	119.6673	0.113	3	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4060	0.000	1	120.4180	0.000	3	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]H){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4240	0.014	2	120.4180	0.000	3	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3588	0.174	6	120.4785	0.195	20	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|H<1>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	120.5560	0.000	1	120.4785	0.195	20	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	119.7710	0.000	1	120.4785	0.195	20	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	119.9940	0.000	1	120.4785	0.195	20	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0493	0.658	3	120.4785	0.195	20	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4203	0.352	6	120.4785	0.195	20	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Se<3>,1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9650	0.000	1	120.4785	0.195	20	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Se<3>,1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4610	0.000	1	120.4785	0.195	20	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6030	0.000	1	120.6030	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2570	0.054	2	119.8978	0.391	5	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]H){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.6583	0.752	3	119.8978	0.391	5	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4135	0.142	2	120.4135	0.020	2	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	121.0540	0.000	1	121.0540	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9120	0.000	1	121.9120	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	121.6303	0.151	3	121.6303	0.023	3	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	121.8160	0.434	2	121.9077	0.119	3	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|H<1>,1|O<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	122.0910	0.000	1	121.9077	0.119	3	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5830	0.267	2	120.5830	0.071	2	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.5740	0.000	1	121.4310	0.041	2	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2880	0.000	1	121.4310	0.041	2	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]P[3x5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,1|P<6>}	C[5,6a](C[5,6a]P[3x5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){2|H<1>,2|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0603	0.582	6	121.0603	0.338	6	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]P[4,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|P<5>}	C[5,6a](C[5,6a]P[4,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6997	0.065	3	120.6997	0.004	3	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,1|P<5>}	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7878	0.271	6	120.7878	0.073	6	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]Se[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Se<4>,1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]Se[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.9788	0.281	4	120.0154	0.066	5	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]Se[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Se<4>,1|C<3>,1|H<1>,1|N<4>,1|O<1>}	C[5,6a](C[5,6a]Se[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1620	0.000	1	120.0154	0.066	5	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|H<1>,1|I<1>,1|O<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9060	0.000	1	120.9060	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H){1|H<1>,2|C<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|H<1>,1|I<1>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	121.1720	0.000	1	121.1720	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>,1|I<1>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	121.8203	0.802	3	121.5644	0.445	5	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|I<1>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2120	0.000	1	121.5644	0.445	5	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|I<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1490	0.000	1	121.5644	0.445	5	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]C){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8680	0.000	1	120.8680	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	116.3620	0.000	1	116.3620	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9140	0.450	2	120.9140	0.202	2	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	H(C[6a]C[5,6a]C[6a])	122.2120	0.000	1	121.6741	0.753	16	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	121.7860	0.000	1	121.6741	0.753	16	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	121.2975	0.699	6	121.6741	0.753	16	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7635	1.510	2	121.6741	0.753	16	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	122.5007	0.552	4	121.6741	0.753	16	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|O<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7360	0.040	2	121.6741	0.753	16	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	123.4335	3.402	2	123.4335	11.573	2	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7062	0.166	5	121.7062	0.028	5	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[5,6a]C[6a])	123.3480	1.373	3	123.3480	1.886	3	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|Se<2>,1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6a]C[5,6a]C[6a])	120.9217	0.151	3	120.9217	0.023	3	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5])(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	120.1940	0.000	1	120.9515	1.148	2	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5])(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	121.7090	0.000	1	120.9515	1.148	2	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5])(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2520	0.000	1	121.2520	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5a])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5a])(H){1|H<1>,1|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1500	0.000	1	121.1500	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5a])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5a])(H){1|O<1>,2|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0870	0.192	7	121.0870	0.037	7	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6])(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	120.5740	0.000	1	121.0240	0.060	6	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6])(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	121.1140	0.120	5	121.0240	0.060	6	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,2|C<4>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	122.1630	0.000	1	122.1630	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){2|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	122.0950	0.000	1	121.6765	0.350	2	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]O){1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2580	0.000	1	121.6765	0.350	2	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Br)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]Br){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2160	0.000	1	121.2160	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<2>,1|C<4>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<2>,1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0370	0.000	1	120.6032	0.132	5	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9510	0.000	1	120.6032	0.132	5	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|F<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4100	0.000	1	120.6032	0.132	5	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3090	0.095	2	120.6032	0.132	5	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]H){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3435	0.035	2	120.3435	0.001	2	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	H(C[6a]C[5,6a]C[6a])	121.1290	0.000	1	120.8052	0.754	17	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1700	0.000	1	120.8052	0.754	17	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7507	0.219	4	120.8052	0.754	17	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<2>,2|S<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0265	0.729	2	120.8052	0.754	17	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2034	1.411	5	120.8052	0.754	17	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4257	0.162	3	120.8052	0.754	17	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|O<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]O){2|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0390	0.000	1	120.8052	0.754	17	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7710	0.000	1	121.7710	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|O<2>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9230	0.000	1	121.5933	0.850	3	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	122.6450	0.000	1	121.5933	0.850	3	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2120	0.000	1	121.5933	0.850	3	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<2>,1|S<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7690	0.000	1	121.2420	0.965	12	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6a]C[5,6a]C[6a])	121.7514	0.239	5	121.2420	0.965	12	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.6423	0.282	3	121.2420	0.965	12	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6a]C[5,6a]C[6a])	119.4140	1.051	2	121.2420	0.965	12	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6a]C[5,6a]C[6a])	120.6230	0.000	1	121.2420	0.965	12	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|N<2>,1|O<2>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]S){1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3775	0.155	2	121.3775	0.024	2	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	122.2790	0.091	2	121.5654	0.354	8	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5470	0.000	1	121.5654	0.354	8	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){2|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	122.1430	0.000	1	121.5654	0.354	8	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	121.0687	0.207	4	121.5654	0.354	8	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7400	0.000	1	120.7400	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]N){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6393	0.250	3	121.6393	0.062	3	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6a]C[5,6a]C[6a])	121.2823	0.137	3	121.4738	0.080	5	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7610	0.093	2	121.4738	0.080	5	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6a]C[5,6a]C[6a])	120.7815	0.125	2	120.7815	0.016	2	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]2)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]2){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2100	0.000	1	120.2100	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(C[6a]C[5,6a]C[6a])	120.9410	0.000	1	120.9410	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	121.3380	0.140	2	121.3453	0.010	3	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]O){1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3600	0.000	1	121.3453	0.010	3	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	120.9350	0.000	1	120.9350	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|Se<2>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,1|H<1>,1|I<1>,1|O<2>}	H(C[6a]C[5,6a]C[6a])	120.1850	0.000	1	120.1850	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|N<2>,1|O<1>,2|O<2>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]O){1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	122.0630	0.000	1	122.0630	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]S)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|O<1>,1|S<6>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1660	0.000	1	121.1660	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]C){1|C<4>,1|N<3>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	121.8150	0.000	1	121.8150	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	123.2765	1.279	2	123.2765	1.636	2	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]O)(H){1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|N<3>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	121.0850	0.000	1	121.0850	0.000	1	121.0013	0.685	4179	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:I[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(I[5]O[5]Cl)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|B<3>,1|C<3>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(I[5]O[5]Cl){1|C<3>,1|F<1>,1|H<1>,1|O<2>}	H(C[6a]C[5,6a]C[6a])	122.0010	0.372	2	122.0010	0.138	2	121.6379	0.570	17	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:I[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(I[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(I[5]O[5]O){1|C<3>,1|F<1>,1|H<1>,1|O<2>}	H(C[6a]C[5,6a]C[6a])	121.3485	0.165	2	121.5214	0.220	7	121.6379	0.570	17	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:I[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(I[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(I[5]O[5]O){1|C<3>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.2260	0.000	1	121.5214	0.220	7	121.6379	0.570	17	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:I[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(I[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>,1|O<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(I[5]O[5]O){1|B<4>,1|C<3>,1|F<1>,1|H<1>,1|O<2>,1|O<3>}	H(C[6a]C[5,6a]C[6a])	121.4318	0.486	4	121.5214	0.220	7	121.6379	0.570	17	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:I[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]C){1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2590	0.000	1	122.7035	4.173	2	121.6379	0.570	17	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:I[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]C){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	124.1480	0.000	1	122.7035	4.173	2	121.6379	0.570	17	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:I[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]F)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]F){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2425	0.176	4	121.2425	0.031	4	121.6379	0.570	17	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:I[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]O){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5250	0.000	1	121.4075	0.028	2	121.6379	0.570	17	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:I[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]O){1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2900	0.000	1	121.4075	0.028	2	121.6379	0.570	17	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5,6]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[5,6a]H)(H){1|C<3>,1|S<4>,3|C<4>}	C[5,6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(N[5]C[5,6]S){1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0010	0.000	1	121.0010	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[5a]C[6a])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[5a]C[6a])(H){1|H<1>,1|S<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3570	0.000	1	120.3570	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a,6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,2|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.6930	0.107	2	121.5405	0.064	15	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a,6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,2|C<4>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.5170	0.262	13	121.5405	0.064	15	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a,6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|H<1>,1|O<1>,2|C<3>,2|F<1>}	H(C[6a]C[5,6a]C[6a])	121.4920	0.000	1	121.4920	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a,6a]H)(H){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]N){3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9547	0.209	3	120.9547	0.044	3	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a,6a]H)(H){1|S<4>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0740	0.000	1	121.0740	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|Br<1>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7360	0.000	1	121.6267	0.047	3	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|Br<1>,1|C<3>,1|C<4>,2|H<1>,2|N<3>}	H(C[6a]C[5,6a]C[6a])	121.5720	0.277	2	121.6267	0.047	3	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.2040	0.374	3	122.2040	0.140	3	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6a]C[5,6a]C[6a])	121.8940	0.000	1	121.8940	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	121.6160	0.000	1	121.6160	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6a]C[5,6a]C[6a])	122.2330	0.000	1	122.0528	0.268	4	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	122.6290	0.000	1	122.0528	0.268	4	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|H<1>,1|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.6745	0.392	2	122.0528	0.268	4	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	121.7490	0.000	1	121.7490	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	122.0850	0.000	1	121.6249	0.451	15	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	122.0545	0.078	2	121.6249	0.451	15	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	120.1530	0.755	2	121.6249	0.451	15	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.6820	0.000	1	121.6249	0.451	15	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.6760	0.000	1	121.6249	0.451	15	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|B<3>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1700	0.000	1	121.6249	0.451	15	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	121.9255	0.083	4	121.6249	0.451	15	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	121.7410	0.000	1	121.6249	0.451	15	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|N<3>}	H(C[6a]C[5,6a]C[6a])	121.9850	0.000	1	121.6249	0.451	15	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.9170	0.000	1	121.6249	0.451	15	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|Br<1>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Br<1>,1|C<3>,1|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	121.4135	0.128	2	121.5973	0.110	3	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Br<1>,1|C<3>,1|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	121.9650	0.000	1	121.5973	0.110	3	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Br<1>,1|Ru<6>,1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.5460	0.000	1	122.5460	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1520	0.456	4	121.1520	0.208	4	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]N[5,6]N[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Br)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]N[5,6]N[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|Br<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	122.7280	0.000	1	122.7280	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,2|C<4>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7400	0.000	1	120.7400	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	118.6740	0.000	1	119.7485	2.309	2	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8230	0.000	1	119.7485	2.309	2	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	120.7950	0.000	1	120.7403	0.010	3	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8020	0.000	1	120.7403	0.010	3	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6240	0.000	1	120.7403	0.010	3	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4917	0.581	3	121.4917	0.337	3	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O){1|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	123.3340	0.000	1	123.3340	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Co<6>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1122	0.140	5	121.1122	0.020	5	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ag)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Ag<2>,1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ag){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0180	0.000	1	121.0180	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Al)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Al<4>,1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Al){1|Al<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6657	0.136	6	120.6657	0.018	6	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.8440	0.000	1	120.9366	0.112	52	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0440	0.000	1	120.9366	0.112	52	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3410	0.000	1	120.9366	0.112	52	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ag<2>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3650	0.000	1	120.9366	0.112	52	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2125	0.133	6	120.9366	0.112	52	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Co<4>,1|Ru<8>,1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8335	0.121	2	120.9366	0.112	52	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Fe<4>,1|Ru<8>,1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9310	0.130	2	120.9366	0.112	52	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,1|C<3>,1|H<1>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	120.6170	0.343	4	120.9366	0.112	52	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<8>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2215	0.260	2	120.9366	0.112	52	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<8>,1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5885	0.105	2	120.9366	0.112	52	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Os<6>,1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0080	0.000	1	120.9366	0.112	52	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Os<8>,1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0160	0.000	1	120.9366	0.112	52	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|H<1>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	120.8379	0.302	8	120.9366	0.112	52	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pt<4>,1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6080	0.000	1	120.9366	0.112	52	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Re<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8314	0.291	5	120.9366	0.112	52	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0620	0.225	3	120.9366	0.112	52	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<8>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7060	0.049	2	120.9366	0.112	52	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0727	0.042	3	120.9366	0.112	52	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4447	0.295	3	120.9366	0.112	52	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Zn<5>,1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2580	0.000	1	120.9366	0.112	52	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0810	0.000	1	120.9366	0.112	52	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2380	0.000	1	120.9366	0.112	52	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Co<4>,1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6590	0.000	1	120.5159	0.046	10	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Co<4>,1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|Ru<8>,1|C<3>,1|H<1>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	120.3915	0.118	2	120.5159	0.046	10	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Co<6>,1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4142	0.032	5	120.5159	0.046	10	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Co<6>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8230	0.320	2	120.5159	0.046	10	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Cu<5>,1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6160	0.000	1	120.7335	0.028	2	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Cu<6>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8510	0.000	1	120.7335	0.028	2	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Fe<4>,1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe){1|Ru<8>,1|C<3>,1|H<1>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	120.4280	0.040	2	120.4280	0.002	2	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6170	0.246	2	121.0290	0.094	35	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6640	0.105	2	121.0290	0.094	35	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9190	0.027	2	121.0290	0.094	35	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9500	0.000	1	121.0290	0.094	35	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<5>,1|C<3>,1|H<1>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	120.6240	0.000	1	121.0290	0.094	35	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Hg<4>,1|C<3>,1|H<1>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	121.2120	0.000	1	121.0290	0.094	35	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ir<6>,1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8965	0.047	2	121.0290	0.094	35	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ir<8>,1|C<3>,1|H<1>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	121.0990	0.140	2	121.0290	0.094	35	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7420	0.169	3	121.0290	0.094	35	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8610	0.000	1	121.0290	0.094	35	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<6>,1|C<3>,1|H<1>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	120.8755	0.293	2	121.0290	0.094	35	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<8>,1|C<3>,1|H<1>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	121.0490	0.174	2	121.0290	0.094	35	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Zn<4>,1|C<3>,1|H<1>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	121.0820	0.000	1	121.0290	0.094	35	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0170	0.004	2	121.0290	0.094	35	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0820	0.000	1	121.0290	0.094	35	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ir<6>,1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.5890	0.000	1	121.0290	0.094	35	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0865	0.008	2	121.0290	0.094	35	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4570	0.069	2	121.0290	0.094	35	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0390	0.000	1	121.0290	0.094	35	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1700	0.000	1	121.0290	0.094	35	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.5500	0.000	1	121.0290	0.094	35	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6345	0.120	2	121.0290	0.094	35	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Hg)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Hg<4>,1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Hg){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9280	0.000	1	120.9280	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Ir<6>,1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8200	0.066	2	122.2450	5.706	5	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.6610	0.000	1	122.2450	5.706	5	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	123.9620	3.538	2	122.2450	5.706	5	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Ni<6>,1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5005	0.035	2	120.6425	0.049	4	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Ni<6>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7845	0.258	2	120.6425	0.049	4	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Os)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Os<9>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Os){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4040	0.000	1	121.4040	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pt)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Pt<4>,1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pt){1|H<1>,2|C<3>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	121.3300	0.000	1	121.3300	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Re<6>,1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5362	0.248	6	120.5362	0.061	6	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Ru<6>,1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6640	0.000	1	120.6675	0.111	6	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Ru<6>,1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6350	0.000	1	120.6675	0.111	6	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Ru<9>,1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4637	0.077	3	120.6675	0.111	6	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3150	0.000	1	120.6675	0.111	6	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Zn<4>,1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9150	0.000	1	120.9010	0.000	2	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Zn<5>,1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|H<1>,2|C<3>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	120.8870	0.000	1	120.9010	0.000	2	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Co)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Co<4>,1|C<3>,1|C<4>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Co){1|Co<4>,1|Co<6>,1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6680	0.000	1	120.8593	0.025	4	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Co)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Co<6>,1|C<3>,1|C<4>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Co){2|Co<6>,1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9230	0.111	3	120.8593	0.025	4	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]O[5]O){1|C<2>,1|C<3>,1|N<3>}	H(C[6a]C[5,6a]C[6a])	122.1173	0.217	3	122.1173	0.047	3	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,2|C<4>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	120.4180	0.000	1	120.4180	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8460	0.000	1	120.8460	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Co)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Co<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1690	0.000	1	121.4452	0.034	5	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Co)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Co<6>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Co){2|C<3>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	121.5143	0.116	4	121.4452	0.034	5	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Cr)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Cr<6>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Cr){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0980	0.000	1	121.0980	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Cu<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Cu){2|C<3>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	119.7030	0.000	1	119.7030	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	120.6290	0.000	1	120.6290	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Ir<6>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ir){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1608	0.129	4	121.2587	0.036	6	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Ir<8>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ir){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4545	0.122	2	121.2587	0.036	6	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Ni<6>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ni){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9370	0.000	1	121.0867	0.019	3	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Ni<6>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ni){2|C<3>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	121.1615	0.062	2	121.0867	0.019	3	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Pt)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Pt<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Pt){1|C<3>,1|H<1>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	121.0110	0.000	1	121.0110	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Ru<6>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<4>,1|N<3>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9120	0.000	1	120.9120	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]Ga[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Ga<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]Ga[5]C){1|C<3>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	119.6850	0.000	1	119.6850	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Ir<6>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ir){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2435	0.634	2	120.2435	0.402	2	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Rh)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Rh<6>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Rh){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	120.0270	0.085	2	120.0270	0.007	2	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	121.5710	0.000	1	121.5710	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	121.9850	0.156	5	121.8990	0.064	6	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	121.4690	0.000	1	121.8990	0.064	6	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	121.8795	0.025	2	121.8795	0.001	2	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	121.7135	0.217	2	121.7550	0.029	3	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	121.8380	0.000	1	121.7550	0.029	3	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	121.8340	0.061	2	121.8357	0.059	11	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.6880	0.000	1	121.8357	0.059	11	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.9190	0.059	2	121.8357	0.059	11	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<2>,1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	122.0850	0.000	1	121.8357	0.059	11	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<2>,1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(C[6a]C[5,6a]C[6a])	121.8530	0.000	1	121.8357	0.059	11	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	121.8810	0.000	1	121.8357	0.059	11	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6a]C[5,6a]C[6a])	121.8260	0.000	1	121.8357	0.059	11	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|N<3>}	H(C[6a]C[5,6a]C[6a])	122.1410	0.000	1	121.8357	0.059	11	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,2|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2130	0.000	1	121.8357	0.059	11	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4590	0.000	1	121.8755	0.050	8	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	121.7400	0.000	1	121.8755	0.050	8	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6a]C[5,6a]C[6a])	122.1340	0.000	1	121.8755	0.050	8	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|C<3>,1|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	122.1020	0.000	1	121.8755	0.050	8	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.9360	0.000	1	121.8755	0.050	8	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.7250	0.000	1	121.8755	0.050	8	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|C<3>,1|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	121.9150	0.000	1	121.8755	0.050	8	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|Cl<1>,1|C<3>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	121.9930	0.000	1	121.8755	0.050	8	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	123.0500	1.240	2	123.0500	1.538	2	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O){1|Cl<1>,1|H<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	123.0050	0.000	1	123.0050	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[5,6a]C[6a])	122.2687	0.114	3	122.2687	0.013	3	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5,5]H){1|Cl<1>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0450	0.089	2	121.0450	0.008	2	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5,6]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5,6]H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	120.7475	0.206	2	120.7475	0.042	2	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|F<1>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	122.5050	0.000	1	122.5050	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	122.1300	0.000	1	122.1300	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|F<1>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	122.1905	0.015	2	122.1817	0.000	3	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|O<1>,2|C<3>,2|F<1>}	H(C[6a]C[5,6a]C[6a])	122.1640	0.000	1	122.1817	0.000	3	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(H){1|F<1>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|F<1>,1|H<1>,1|O<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.8050	0.000	1	122.1873	0.119	3	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|F<1>,1|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	122.2810	0.000	1	122.1873	0.119	3	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|F<1>,1|H<1>,1|O<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	122.4760	0.000	1	122.1873	0.119	3	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]F)(H){1|Ir<6>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ir){2|C<3>,2|F<1>}	H(C[6a]C[5,6a]C[6a])	122.1570	0.000	1	122.1570	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5,5]C[6a])(C[6a]C[6a]H)(N[5]C[3,5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5,5]C[6a])(C[6a]C[6a]H)(N[5]C[3,5]C){1|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0870	0.228	2	121.0870	0.052	2	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[3,5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[3,5]C){1|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1065	0.060	2	121.1065	0.004	2	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[3,5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[3,5]C){1|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0150	0.000	1	121.0150	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[3,5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[3,5]S){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9520	0.000	1	120.9520	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2422	0.168	5	121.2694	0.279	36	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|I<1>,3|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6160	0.000	1	121.2694	0.279	36	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7800	0.000	1	121.2694	0.279	36	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1993	0.222	4	121.2694	0.279	36	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2470	0.000	1	121.2694	0.279	36	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	121.2830	0.000	1	121.2694	0.279	36	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2790	0.017	2	121.2694	0.279	36	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4247	0.274	3	121.2694	0.279	36	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2650	0.000	1	121.2694	0.279	36	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4778	0.782	13	121.2694	0.279	36	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|I<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8850	0.083	3	121.2694	0.279	36	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7990	0.000	1	121.2694	0.279	36	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.7120	0.290	2	121.6555	0.456	10	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0550	0.000	1	121.6555	0.456	10	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9100	0.635	2	121.6555	0.456	10	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4220	0.000	1	121.6555	0.456	10	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2085	0.116	4	121.6555	0.456	10	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1644	0.363	5	121.1644	0.132	5	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1570	0.000	1	121.1570	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.4205	0.351	2	121.2537	0.145	3	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9200	0.000	1	121.2537	0.145	3	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]S){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.1640	0.000	1	121.2800	0.027	2	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]S){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.3960	0.000	1	121.2800	0.027	2	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0910	0.000	1	121.0910	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8570	0.163	2	120.9777	0.027	6	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0380	0.146	4	120.9777	0.027	6	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2600	0.000	1	121.1590	0.020	2	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0580	0.000	1	121.1590	0.020	2	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[4,5,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C){1|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9620	0.000	1	121.0280	0.009	2	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[4,5,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C){2|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.0940	0.000	1	121.0280	0.009	2	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C){1|C<4>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8290	0.000	1	121.2738	0.085	5	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4670	0.078	3	121.2738	0.085	5	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.1390	0.000	1	121.2738	0.085	5	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]H){2|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.8710	0.117	2	120.8780	0.007	3	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8920	0.000	1	120.8780	0.007	3	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[4,5]S){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3920	0.000	1	121.3920	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2025	0.548	17	121.2426	0.267	20	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3510	0.000	1	121.2426	0.267	20	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5295	0.227	2	121.2426	0.267	20	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5710	0.000	1	121.0786	0.049	9	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1572	0.136	6	121.0786	0.049	9	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0965	0.070	2	121.0786	0.049	9	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){2|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.2930	0.000	1	121.2930	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7270	0.000	1	120.8253	0.018	4	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8550	0.000	1	120.8253	0.018	4	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0010	0.000	1	120.8253	0.018	4	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7180	0.000	1	120.8253	0.018	4	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0510	0.232	2	121.0343	0.028	3	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0010	0.000	1	121.0343	0.028	3	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9203	0.311	10	121.0156	0.108	14	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1905	0.343	2	121.0156	0.108	14	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5150	0.000	1	121.0156	0.108	14	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1190	0.000	1	121.0156	0.108	14	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4652	0.983	5	120.8784	0.437	21	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4180	0.000	1	120.8784	0.437	21	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3265	0.142	2	120.8784	0.437	21	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0807	0.463	13	120.8784	0.437	21	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3300	0.000	1	121.2240	0.008	3	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1770	0.000	1	121.2240	0.008	3	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1650	0.000	1	121.2240	0.008	3	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3980	0.000	1	121.3510	0.008	4	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4500	0.000	1	121.3510	0.008	4	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2780	0.030	2	121.3510	0.008	4	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7680	0.000	1	120.7680	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]S){1|O<2>,2|C<3>,2|H<1>,2|N<3>}	H(C[6a]C[5,6a]C[6a])	121.5780	0.000	1	121.5780	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0750	0.000	1	120.9889	0.312	85	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0560	0.000	1	120.9889	0.312	85	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5000	0.205	2	120.9889	0.312	85	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2590	0.000	1	120.9889	0.312	85	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|Br<1>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3480	0.000	1	120.9889	0.312	85	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0570	0.000	1	120.9889	0.312	85	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0990	0.045	2	120.9889	0.312	85	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	122.6700	0.000	1	120.9889	0.312	85	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9846	0.323	19	120.9889	0.312	85	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0580	0.000	1	120.9889	0.312	85	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2000	0.164	3	120.9889	0.312	85	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9963	0.246	3	120.9889	0.312	85	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9747	0.081	3	120.9889	0.312	85	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3217	0.214	3	120.9889	0.312	85	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0560	0.108	3	120.9889	0.312	85	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1000	0.000	1	120.9889	0.312	85	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|Zr<12>,1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9340	0.000	1	120.9889	0.312	85	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7510	0.324	4	120.9889	0.312	85	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<4>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6170	0.322	2	120.9889	0.312	85	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4880	0.000	1	120.9889	0.312	85	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2280	0.000	1	120.9889	0.312	85	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6770	0.000	1	120.9889	0.312	85	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2715	0.062	2	120.9889	0.312	85	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2910	0.000	1	120.9889	0.312	85	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|F<1>,1|N<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2300	0.000	1	120.9889	0.312	85	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3900	0.000	1	120.9889	0.312	85	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0590	0.188	6	120.9889	0.312	85	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6330	0.000	1	120.9889	0.312	85	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9261	0.342	10	120.9889	0.312	85	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0680	2.068	4	120.9889	0.312	85	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	121.1153	0.273	3	120.9889	0.312	85	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4030	0.325	2	120.9304	0.115	36	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|I<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5840	0.000	1	120.9304	0.115	36	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9040	0.000	1	120.9304	0.115	36	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2230	0.474	2	120.9304	0.115	36	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9007	0.106	3	120.9304	0.115	36	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8905	0.396	11	120.9304	0.115	36	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9530	0.000	1	120.9304	0.115	36	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	120.6600	0.000	1	120.9304	0.115	36	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3970	0.000	1	120.9304	0.115	36	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,2|H<1>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	121.0470	0.000	1	120.9304	0.115	36	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1215	0.115	2	120.9304	0.115	36	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0663	0.100	3	120.9304	0.115	36	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9740	0.000	1	120.9304	0.115	36	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1890	0.000	1	120.9304	0.115	36	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0620	0.000	1	120.9304	0.115	36	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6090	0.000	1	120.9304	0.115	36	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6910	0.000	1	120.9304	0.115	36	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3160	0.000	1	120.9304	0.115	36	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9180	0.000	1	120.9304	0.115	36	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]N){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9315	0.527	2	121.9315	0.278	2	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.7848	0.358	4	121.7848	0.128	4	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3552	0.078	9	121.3180	0.027	24	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5890	0.000	1	121.3180	0.027	24	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.1220	0.000	1	121.3180	0.027	24	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1910	0.000	1	121.3180	0.027	24	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	H(C[6a]C[5,6a]C[6a])	121.3290	0.000	1	121.3180	0.027	24	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<4>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3013	0.257	3	121.3180	0.027	24	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3870	0.000	1	121.3180	0.027	24	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|N<3>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3507	0.117	3	121.3180	0.027	24	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2885	0.213	2	121.3180	0.027	24	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4230	0.000	1	121.3180	0.027	24	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]S){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8620	0.000	1	121.3180	0.027	24	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9423	0.401	3	121.2681	0.136	411	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5880	0.000	1	121.2681	0.136	411	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0923	0.240	6	121.2681	0.136	411	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9485	0.248	4	121.2681	0.136	411	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1960	0.158	2	121.2681	0.136	411	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0455	0.216	2	121.2681	0.136	411	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2010	0.000	1	121.2681	0.136	411	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1760	0.000	1	121.2681	0.136	411	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5190	0.000	1	121.2681	0.136	411	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1970	0.000	1	121.2681	0.136	411	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0210	0.000	1	121.2681	0.136	411	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1240	0.065	2	121.2681	0.136	411	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2180	0.000	1	121.2681	0.136	411	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4688	0.279	5	121.2681	0.136	411	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4278	0.263	4	121.2681	0.136	411	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2756	0.231	24	121.2681	0.136	411	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4575	0.411	15	121.2681	0.136	411	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	118.4930	0.000	1	121.2681	0.136	411	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5000	0.000	1	121.2681	0.136	411	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2100	0.000	1	121.2681	0.136	411	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1220	0.240	4	121.2681	0.136	411	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0950	0.000	1	121.2681	0.136	411	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0075	0.308	16	121.2681	0.136	411	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0866	0.270	12	121.2681	0.136	411	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2110	0.000	1	121.2681	0.136	411	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2705	0.193	2	121.2681	0.136	411	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8910	0.597	2	121.2681	0.136	411	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1523	0.344	7	121.2681	0.136	411	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1970	0.000	1	121.2681	0.136	411	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1800	0.000	1	121.2681	0.136	411	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6a]C[5,6a]C[6a])	121.5250	0.000	1	121.2681	0.136	411	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	121.1920	0.000	1	121.2681	0.136	411	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4870	0.000	1	121.2681	0.136	411	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2413	0.180	4	121.2681	0.136	411	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2113	0.302	12	121.2681	0.136	411	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5500	1.072	2	121.2681	0.136	411	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2353	0.461	78	121.2681	0.136	411	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2650	0.000	1	121.2681	0.136	411	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2460	0.000	1	121.2681	0.136	411	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2982	0.309	42	121.2681	0.136	411	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	121.6140	0.000	1	121.2681	0.136	411	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6653	0.189	3	121.2681	0.136	411	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3065	0.037	2	121.2681	0.136	411	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4510	0.000	1	121.2681	0.136	411	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,1|S<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5740	0.000	1	121.2681	0.136	411	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3195	0.208	57	121.2681	0.136	411	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	H(C[6a]C[5,6a]C[6a])	121.3342	0.176	4	121.2681	0.136	411	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4556	0.281	30	121.2681	0.136	411	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6a]C[5,6a]C[6a])	121.2320	0.000	1	121.2681	0.136	411	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3900	0.000	1	121.2681	0.136	411	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.6710	0.000	1	121.2681	0.136	411	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0770	0.000	1	121.2681	0.136	411	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3415	0.217	10	121.2681	0.136	411	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3294	0.130	10	121.2681	0.136	411	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3314	0.301	5	121.2681	0.136	411	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	121.6870	0.000	1	121.2681	0.136	411	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|I<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7043	0.414	4	121.2681	0.136	411	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2820	0.000	1	121.2681	0.136	411	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4520	0.071	2	121.2681	0.136	411	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2230	0.096	2	121.2681	0.136	411	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2290	0.116	5	121.2681	0.136	411	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2340	0.000	1	121.2681	0.136	411	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1123	0.094	4	121.1953	0.238	255	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0495	0.013	2	121.1953	0.238	255	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2765	0.221	2	121.1953	0.238	255	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8750	0.000	1	121.1953	0.238	255	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1113	0.085	3	121.1953	0.238	255	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0980	0.000	1	121.1953	0.238	255	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1930	0.000	1	121.1953	0.238	255	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3240	0.000	2	121.1953	0.238	255	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	120.1970	0.000	1	121.1953	0.238	255	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0195	0.177	2	121.1953	0.238	255	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8805	0.005	2	121.1953	0.238	255	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9005	0.389	4	121.1953	0.238	255	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2338	0.355	135	121.1953	0.238	255	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3670	0.174	2	121.1953	0.238	255	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4630	0.000	1	121.1953	0.238	255	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5270	0.000	1	121.1953	0.238	255	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3085	0.200	2	121.1953	0.238	255	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1157	0.865	48	121.1953	0.238	255	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	121.2030	0.000	1	121.1953	0.238	255	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2228	0.148	6	121.1953	0.238	255	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4170	0.168	2	121.1953	0.238	255	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4155	0.330	2	121.1953	0.238	255	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3853	0.026	3	121.1953	0.238	255	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|S<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.8430	0.000	1	121.1953	0.238	255	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,2|H<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	120.7900	0.000	1	121.1953	0.238	255	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1022	0.199	6	121.1953	0.238	255	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1930	0.020	3	121.1953	0.238	255	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9402	0.364	5	121.1953	0.238	255	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	122.8310	0.000	1	121.1953	0.238	255	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9020	0.000	1	121.1953	0.238	255	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2367	0.170	3	121.1953	0.238	255	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1470	0.085	4	121.1953	0.238	255	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2860	0.035	2	121.1953	0.238	255	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6650	0.000	1	121.1509	0.086	7	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2930	0.000	1	121.1509	0.086	7	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0660	0.000	1	121.1509	0.086	7	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S){2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2040	0.000	1	121.1509	0.086	7	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1860	0.000	1	121.1509	0.086	7	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]S){3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8210	0.000	2	121.1509	0.086	7	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]N[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]N[5]C){2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.9480	0.000	1	121.9480	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]N[5]P)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|P<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]N[5]P){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.5220	0.000	1	121.5220	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]S[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]S[5]C){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	120.8310	0.000	1	120.8310	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0820	0.000	1	121.1290	0.004	2	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1760	0.000	1	121.1290	0.004	2	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0255	0.118	2	120.9968	0.074	5	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6000	0.000	1	120.9968	0.074	5	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3460	0.000	1	120.9968	0.074	5	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9870	0.000	1	120.9968	0.074	5	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7270	0.000	1	121.5843	0.104	3	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8110	0.000	1	121.5843	0.104	3	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2150	0.000	1	121.5843	0.104	3	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	122.0560	0.000	1	121.1137	0.298	38	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0100	0.000	1	121.1137	0.298	38	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0350	0.685	4	121.1137	0.298	38	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0420	0.000	1	121.1137	0.298	38	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.8990	0.117	2	121.1137	0.298	38	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3195	0.183	2	121.1137	0.298	38	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8697	0.131	3	121.1137	0.298	38	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8810	0.000	1	121.1137	0.298	38	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9357	0.256	4	121.1137	0.298	38	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.0670	0.000	1	121.1137	0.298	38	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|Cr<9>,1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5000	0.203	3	121.1137	0.298	38	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9780	0.000	1	121.1137	0.298	38	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){2|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.1710	0.000	1	121.1137	0.298	38	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2190	0.000	1	121.1137	0.298	38	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|Cr<9>,1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7970	0.000	1	121.1137	0.298	38	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1190	0.000	1	121.1137	0.298	38	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1385	1.722	2	121.1137	0.298	38	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6970	0.000	1	121.1137	0.298	38	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|Br<1>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4880	0.000	1	121.1137	0.298	38	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3440	0.000	1	121.1137	0.298	38	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4130	0.000	1	121.1137	0.298	38	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3960	0.000	1	121.1137	0.298	38	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2610	0.277	2	121.1137	0.298	38	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	122.4150	0.000	1	121.1137	0.298	38	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|Br<1>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8660	0.000	1	120.8984	0.061	7	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7030	0.000	2	120.8984	0.061	7	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<4>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9465	0.120	2	120.8984	0.061	7	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|Ru<11>,1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3930	0.000	1	120.8984	0.061	7	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7310	0.000	1	120.8984	0.061	7	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]P)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]P){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2195	0.228	2	121.2195	0.052	2	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1380	0.000	1	121.3577	0.497	16	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<3>,2|C<4>,2|H<1>,2|N<3>}	H(C[6a]C[5,6a]C[6a])	121.0960	0.000	1	121.3577	0.497	16	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5553	0.618	4	121.3577	0.497	16	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	123.5330	0.000	1	121.3577	0.497	16	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2140	0.102	2	121.3577	0.497	16	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7660	0.088	2	121.3577	0.497	16	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3740	0.279	2	121.3577	0.497	16	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8160	0.000	1	121.3577	0.497	16	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2700	0.000	1	121.3577	0.497	16	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9410	0.000	1	121.3577	0.497	16	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9860	0.000	1	121.2475	0.261	198	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9192	0.358	5	121.2475	0.261	198	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0663	0.269	3	121.2475	0.261	198	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1680	0.000	1	121.2475	0.261	198	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0950	0.000	1	121.2475	0.261	198	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0565	0.008	2	121.2475	0.261	198	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9680	0.072	2	121.2475	0.261	198	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1775	0.050	2	121.2475	0.261	198	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1730	0.437	22	121.2475	0.261	198	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2490	0.176	4	121.2475	0.261	198	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1200	0.038	3	121.2475	0.261	198	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0613	0.008	3	121.2475	0.261	198	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2000	0.148	5	121.2475	0.261	198	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7971	1.072	8	121.2475	0.261	198	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9590	0.066	6	121.2475	0.261	198	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2802	0.541	4	121.2475	0.261	198	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.5100	2.005	2	121.2475	0.261	198	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0343	0.365	3	121.2475	0.261	198	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9680	0.000	1	121.2475	0.261	198	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6a]C[5,6a]C[6a])	121.4780	0.000	1	121.2475	0.261	198	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	121.1860	0.000	2	121.2475	0.261	198	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|N<3>}	H(C[6a]C[5,6a]C[6a])	121.7730	0.000	1	121.2475	0.261	198	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	123.8580	0.000	1	121.2475	0.261	198	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4413	0.341	3	121.2475	0.261	198	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3934	0.119	11	121.2475	0.261	198	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9086	1.369	5	121.2475	0.261	198	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|N<2>}	H(C[6a]C[5,6a]C[6a])	121.2900	0.000	1	121.2475	0.261	198	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2755	0.135	2	121.2475	0.261	198	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4090	0.496	12	121.2475	0.261	198	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	H(C[6a]C[5,6a]C[6a])	121.0860	0.000	1	121.2475	0.261	198	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|S<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3190	0.000	1	121.2475	0.261	198	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3605	0.287	31	121.2475	0.261	198	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1660	0.001	2	121.2475	0.261	198	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6a]C[5,6a]C[6a])	121.1080	0.000	1	121.2475	0.261	198	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3760	0.127	2	121.2475	0.261	198	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3856	0.293	22	121.2475	0.261	198	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8697	0.203	3	121.2475	0.261	198	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2960	0.000	1	121.2475	0.261	198	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0450	0.000	1	121.2475	0.261	198	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2690	0.192	3	121.2475	0.261	198	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3656	0.153	5	121.2475	0.261	198	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1225	0.109	4	121.2475	0.261	198	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3110	0.000	1	121.2475	0.261	198	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1210	0.000	1	121.2475	0.261	198	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3425	0.462	2	121.2475	0.261	198	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8570	0.000	1	121.3258	0.091	62	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2360	0.000	1	121.3258	0.091	62	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2800	0.000	1	121.3258	0.091	62	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8720	0.000	1	121.3258	0.091	62	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2315	0.039	2	121.3258	0.091	62	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|I<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	122.0370	0.000	1	121.3258	0.091	62	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2900	0.000	1	121.3258	0.091	62	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|S<2>}	H(C[6a]C[5,6a]C[6a])	122.0505	0.260	2	121.3258	0.091	62	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|Br<1>,1|H<1>,1|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2390	0.000	1	121.3258	0.091	62	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4797	0.175	6	121.3258	0.091	62	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3973	0.186	3	121.3258	0.091	62	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1630	0.018	2	121.3258	0.091	62	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	121.4330	0.000	1	121.3258	0.091	62	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2298	0.251	6	121.3258	0.091	62	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3585	0.135	2	121.3258	0.091	62	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4248	0.266	20	121.3258	0.091	62	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9420	0.000	1	121.3258	0.091	62	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1240	0.000	1	121.3258	0.091	62	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9420	0.093	2	121.3258	0.091	62	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0076	0.139	5	121.3258	0.091	62	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2460	0.000	1	121.3258	0.091	62	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1700	0.000	1	121.3258	0.091	62	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2870	0.000	1	121.2870	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]N[5,6]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]N[5,6]C){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8020	0.000	1	121.8020	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[3,5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[3,5]S){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3360	0.000	1	121.3360	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.3430	0.000	1	120.9882	0.088	8	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2430	0.000	1	120.9882	0.088	8	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|Br<1>,1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8017	0.222	4	120.9882	0.088	8	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|Br<1>,1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8010	0.000	1	120.9882	0.088	8	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3120	0.000	1	120.9882	0.088	8	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H){3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1070	0.000	1	121.1434	0.028	8	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2840	0.000	1	121.1434	0.028	8	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0830	0.000	1	121.1434	0.028	8	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1900	0.141	2	121.1434	0.028	8	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H){1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2495	0.046	2	121.1434	0.028	8	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7940	0.000	1	121.1434	0.028	8	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,5]S){1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4150	0.000	1	121.4150	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.0125	0.252	2	121.0021	1.058	52	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0690	0.414	2	121.0021	1.058	52	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9180	1.211	33	121.0021	1.058	52	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0985	0.078	2	121.0021	1.058	52	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0080	0.000	1	121.0021	1.058	52	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	123.4710	0.000	1	121.0021	1.058	52	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.0870	0.000	1	121.0021	1.058	52	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){2|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.0770	0.063	6	121.0021	1.058	52	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8565	0.306	4	121.0021	1.058	52	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0256	0.096	10	121.0862	0.022	13	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3475	0.022	2	121.0862	0.022	13	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1690	0.000	1	121.0862	0.022	13	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2){1|C<4>,3|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7020	0.000	1	121.1767	0.223	3	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6460	0.000	1	121.1767	0.223	3	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1820	0.000	1	121.1767	0.223	3	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]B)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8010	0.000	1	121.8010	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1463	0.319	3	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	121.1716	0.143	11	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9760	0.098	3	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9970	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<2>,1|C<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2540	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5690	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1328	0.377	11	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2662	0.563	11	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0580	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8220	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	H(C[6a]C[5,6a]C[6a])	121.1775	0.046	2	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8290	0.407	2	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9210	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8425	0.631	2	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1963	0.268	3	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8640	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Si<4>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0000	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|Cl<1>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9480	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4470	0.330	2	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9010	0.303	3	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3610	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<3>,1|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.0910	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<3>,1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0820	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2290	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0820	0.165	3	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1020	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1162	0.258	6	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8620	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0617	0.082	3	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1340	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<2>,2|C<3>,2|F<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1200	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.1200	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8605	0.414	2	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8937	0.060	3	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7830	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	121.4473	0.624	7	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9540	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0407	0.314	3	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1900	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4910	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5924	0.737	5	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3590	0.059	2	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3465	0.157	29	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2030	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4600	0.133	2	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1737	0.329	19	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3500	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	121.5354	0.867	38	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1673	0.282	7	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3370	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3300	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	121.5345	0.093	2	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	121.2440	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	120.9490	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3360	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5068	0.123	4	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2960	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3357	0.606	57	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2490	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3880	0.165	3	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|P<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2870	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3170	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|I<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	120.5207	1.002	3	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	121.5350	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	121.4240	0.096	2	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0340	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	121.1884	0.152	7	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9095	0.191	4	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3775	0.204	2	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1715	0.095	2	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0140	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8965	0.022	2	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0770	0.119	3	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9608	1.653	6	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2530	0.267	2	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9410	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8670	0.448	2	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0780	0.006	2	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3225	0.136	2	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9190	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2490	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0330	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Al<4>,1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3415	1.348	2	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	121.4300	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6a]C[5,6a]C[6a])	120.3010	2.912	2	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	118.8780	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Br<1>,1|C<3>,1|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4430	0.054	2	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<2>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9830	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5070	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5557	0.344	11	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7080	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2608	0.415	33	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1900	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1994	0.720	38	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4175	0.189	2	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3435	0.161	11	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|S<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	117.2450	5.310	2	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2915	0.854	4	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	121.7970	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	121.2140	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4540	0.110	2	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3960	0.010	2	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4943	0.143	3	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4287	0.352	33	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	H(C[6a]C[5,6a]C[6a])	121.3300	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1895	0.480	2	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	122.0318	0.129	6	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|O<2>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1300	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1694	0.156	7	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3181	0.391	44	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1210	0.017	2	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0947	0.215	3	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	121.5580	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	121.4090	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1030	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|F<1>,1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7330	0.168	2	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|F<1>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5200	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ga<4>,1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9535	0.168	2	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4450	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4800	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3734	0.255	13	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3464	0.199	10	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3333	0.466	3	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1880	0.288	4	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3885	0.189	15	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Yb<12>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4160	0.115	2	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8167	0.337	64	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3310	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2490	0.161	6	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4655	0.091	2	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9680	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1252	0.233	4	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7530	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	121.5260	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2220	0.221	16	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|I<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2320	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|I<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7350	0.232	2	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|I<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9660	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|I<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4680	0.260	2	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|I<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9020	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0220	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|N<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.5680	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.0420	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	123.2537	3.571	3	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<2>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8400	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|S<4>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0465	0.148	2	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|F<1>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4110	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5010	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1945	0.046	2	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	H(C[6a]C[5,6a]C[6a])	121.1600	0.062	2	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|O<2>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9065	0.194	2	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3467	0.054	3	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9360	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9450	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	121.3058	0.340	10	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2750	0.000	1	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1650	0.014	2	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3660	0.104	3	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4130	0.072	2	121.3359	0.391	748	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]Er)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Er<15>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]Er){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5630	0.116	2	120.5630	0.013	2	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8300	0.000	1	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1903	0.346	3	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9497	0.193	3	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2020	0.000	1	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0310	0.175	3	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	121.2810	0.000	1	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.5173	2.898	4	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.0700	0.000	1	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5543	0.300	3	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1628	1.871	4	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0980	0.000	1	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1340	0.000	1	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3370	0.000	1	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4603	0.318	3	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3450	0.000	1	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9270	0.000	1	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	121.1380	0.175	2	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1490	0.000	1	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0500	0.000	1	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0170	0.000	1	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3780	0.064	2	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1090	0.000	1	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|F<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4060	0.006	2	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2330	0.000	1	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6620	0.000	1	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0177	0.162	3	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9570	0.000	1	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,2|F<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2760	0.000	1	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4375	0.063	2	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0140	0.000	1	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Br<1>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4330	0.000	1	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|F<1>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0730	0.000	1	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	122.0250	0.000	1	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3890	0.000	1	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4780	0.000	1	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3689	0.207	8	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5178	0.196	31	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1470	0.000	1	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3778	0.187	12	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.6900	0.000	1	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5890	0.000	2	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6140	0.000	1	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,1|S<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3900	0.000	1	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8963	1.752	6	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3492	0.146	16	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9530	0.000	1	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9750	0.000	1	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3982	0.396	21	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.5370	0.000	1	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3680	0.134	2	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2513	2.309	3	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5215	0.107	4	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2680	0.000	1	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9847	2.151	3	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2957	0.247	8	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.8595	0.152	2	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6855	0.125	8	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	121.2757	0.103	3	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|Cl<1>,1|C<3>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7200	0.700	2	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1100	0.000	1	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9220	0.000	1	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1730	0.000	1	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1010	0.000	1	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2494	0.156	5	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	121.1910	0.000	1	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9343	0.303	3	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1778	0.177	9	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	120.9976	0.595	5	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8535	0.197	4	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|I<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	121.4870	0.000	1	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|I<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2590	0.000	1	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6920	1.052	5	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2217	0.268	3	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	121.4455	0.012	2	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5820	0.000	1	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<6>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9285	0.008	2	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4500	0.000	1	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|F<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1705	0.011	2	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4000	0.000	1	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5240	0.000	1	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3310	0.000	1	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	121.7160	0.065	2	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1720	0.000	1	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Br<1>,1|C<3>,1|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	121.3940	0.000	1	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|I<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	121.5690	0.000	1	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1860	0.655	37	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5694	0.421	5	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|C<3>,1|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	121.3665	0.374	2	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4120	0.000	1	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2219	0.335	68	121.2335	0.416	366	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]N){1|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1107	0.273	3	120.9769	1.005	11	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]N){1|C<3>,1|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8444	0.640	5	120.9769	1.005	11	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]N){1|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0640	2.012	3	120.9769	1.005	11	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O){3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2283	0.079	3	121.5898	0.256	10	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9170	1.170	2	121.5898	0.256	10	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7720	0.298	3	121.5898	0.256	10	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5315	0.173	2	121.5898	0.256	10	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]P)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]P){1|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	123.1520	0.503	2	123.1520	0.253	2	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]Pd)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]Pd){1|Pd<4>,1|C<3>,1|S<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5180	0.000	1	121.4144	0.045	8	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]Pd)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]Pd){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3996	0.225	7	121.4144	0.045	8	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ru<6>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0655	0.018	2	121.0655	0.000	2	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<4>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0780	0.000	1	121.1737	0.345	63	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9170	0.000	1	121.1737	0.345	63	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.8760	0.000	1	121.1737	0.345	63	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2960	0.182	2	121.1737	0.345	63	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|B<3>,1|C<3>,1|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7310	0.000	1	121.1737	0.345	63	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1470	0.000	1	121.1737	0.345	63	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<2>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4600	0.000	1	121.1737	0.345	63	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0980	0.000	1	121.1737	0.345	63	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2840	0.000	1	121.1737	0.345	63	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1573	0.194	3	121.1737	0.345	63	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3620	0.162	4	121.1737	0.345	63	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|N<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1790	0.000	1	121.1737	0.345	63	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|N<4>,1|O<2>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4305	0.629	2	121.1737	0.345	63	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|O<2>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4507	0.134	3	121.1737	0.345	63	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|S<2>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2390	0.000	1	121.1737	0.345	63	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<4>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1597	0.401	10	121.1737	0.345	63	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4470	0.000	1	121.1737	0.345	63	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9750	0.000	1	121.1737	0.345	63	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2840	0.190	2	121.1737	0.345	63	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0477	0.159	3	121.1737	0.345	63	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|S<4>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<2>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1000	0.000	1	121.1737	0.345	63	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|S<4>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2940	0.000	1	121.1737	0.345	63	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|S<4>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1605	0.238	2	121.1737	0.345	63	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|S<4>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4750	0.000	1	121.1737	0.345	63	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	117.7200	0.000	1	121.1737	0.345	63	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4670	0.310	6	121.1737	0.345	63	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1930	0.000	1	121.1737	0.345	63	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1090	0.000	1	121.1737	0.345	63	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4080	0.000	1	121.1737	0.345	63	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4160	0.000	1	121.1737	0.345	63	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	122.5420	0.000	1	121.1737	0.345	63	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3260	0.000	1	121.1737	0.345	63	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2985	0.374	2	121.1737	0.345	63	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|S<4>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1390	0.000	1	121.1737	0.345	63	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|S<4>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0380	0.000	1	121.1737	0.345	63	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]Si)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]Si){1|C<3>,1|C<4>,1|C<6>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9590	0.000	1	120.9590	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]Sm)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Sm<12>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]Sm){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7707	0.332	3	120.7707	0.110	3	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]Y)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Y<11>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]Y){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2795	0.375	2	121.2310	0.078	3	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]Y)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Y<12>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]Y){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1340	0.000	1	121.2310	0.078	3	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]Al)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Al<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]Al){1|Al<4>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2780	0.000	1	121.2780	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]B)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]B){1|Fe<6>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6843	0.231	3	121.7055	0.482	6	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]B)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]B){1|Rh<9>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7267	1.073	3	121.7055	0.482	6	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	118.7010	0.000	1	121.6036	0.490	26	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Co<6>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9147	0.144	4	121.6036	0.490	26	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Co<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8780	0.000	1	121.6036	0.490	26	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Cu<5>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	122.0065	0.026	2	121.6036	0.490	26	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Ni<6>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	122.0025	0.067	2	121.6036	0.490	26	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5994	0.220	5	121.6036	0.490	26	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Pd<4>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	122.0095	0.143	4	121.6036	0.490	26	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Re<6>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9900	0.000	1	121.6036	0.490	26	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Rh<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7900	0.000	1	121.6036	0.490	26	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Rh<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8330	0.345	2	121.6036	0.490	26	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Re<6>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6635	0.049	2	121.6036	0.490	26	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Ru<6>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6290	0.000	1	121.6036	0.490	26	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]Fe)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]Fe){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4095	0.137	4	121.4095	0.019	4	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H){1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8315	0.415	4	121.6818	0.338	52	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Cu<6>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2157	0.466	4	121.6818	0.338	52	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Fe<5>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4510	0.000	1	121.6818	0.338	52	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Os<6>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7935	0.264	6	121.6818	0.338	52	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Re<6>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9320	0.327	4	121.6818	0.338	52	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Re<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.0818	0.369	6	121.6818	0.338	52	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Ru<6>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5679	0.690	26	121.6818	0.338	52	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Zn<5>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.0700	0.000	1	121.6818	0.338	52	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]O){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6890	0.120	5	121.6890	0.014	5	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]Os)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]Os){1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2203	0.076	3	121.2203	0.006	3	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]Pd)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]Pd){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7002	0.310	4	121.7002	0.096	4	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]Re)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]Re){1|Re<6>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6557	0.273	3	121.6557	0.075	3	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]O[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]O[5]C){1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4315	0.494	2	121.4315	0.244	2	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1587	0.194	6	121.1031	0.022	15	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1330	0.000	1	121.1031	0.022	15	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]C){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0577	0.111	8	121.1031	0.022	15	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,5]N){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1090	0.000	1	121.1090	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,6]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5,6]O){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6840	0.000	1	121.6840	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|C<3>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8770	0.000	1	121.6244	0.058	14	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Fe<10>,1|C<3>,1|W<6>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.4235	0.220	2	121.6244	0.058	14	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Fe<10>,1|Cr<6>,1|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.9660	0.099	2	121.6244	0.058	14	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Fe<10>,1|Ir<4>,1|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.6677	0.061	3	121.6244	0.058	14	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Fe<10>,1|Ir<6>,1|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.6547	0.220	3	121.6244	0.058	14	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Fe<10>,1|Mo<6>,1|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.2850	0.000	1	121.6244	0.058	14	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]2){1|Pd<4>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4170	0.061	2	121.6244	0.058	14	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ag)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ag<2>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ag){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	118.9357	4.128	3	120.7744	3.435	15	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ag)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ag<2>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ag){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3650	0.074	2	120.7744	3.435	15	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ag)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ag<3>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ag){1|Ir<8>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0555	0.743	2	120.7744	3.435	15	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ag)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ag<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ag){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2460	0.312	8	120.7744	3.435	15	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Al)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Al<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Al){1|Al<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2325	0.179	2	121.5646	0.123	14	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Al)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Al<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Al){1|Al<4>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6713	0.408	8	121.5646	0.123	14	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Al)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Al<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Al){1|Al<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5650	0.264	2	121.5646	0.123	14	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Al)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Al<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Al){1|Al<5>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4130	0.000	1	121.5646	0.123	14	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Al)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Al<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Al){1|Al<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5260	0.000	1	121.5646	0.123	14	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]As)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|As<1>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]As){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7595	0.227	2	121.7595	0.052	2	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Au)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Au<2>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Au){1|Re<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7830	0.000	1	121.7830	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B){1|B<4>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6245	0.398	2	121.4921	0.061	37	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B){1|B<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2835	0.060	4	121.4921	0.061	37	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5748	0.310	5	121.4921	0.061	37	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2338	0.391	4	121.4921	0.061	37	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7210	0.040	6	121.4921	0.061	37	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5173	0.102	3	121.4921	0.061	37	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,1|S<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1910	0.000	1	121.4921	0.061	37	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]B){1|Ni<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4955	0.142	12	121.4921	0.061	37	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Be)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Be<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Be){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3300	0.000	1	121.3300	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6017	0.325	3	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ge<5>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8420	0.000	1	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1380	0.000	1	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1190	0.083	2	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.5840	0.000	1	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0265	0.085	4	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2447	0.116	4	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0030	0.000	1	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ag<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7212	0.032	8	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Al<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4660	0.077	3	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|As<1>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8105	0.088	2	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<3>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3565	0.146	2	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8581	0.137	18	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<4>,1|C<3>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7196	0.232	5	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<4>,1|C<3>,1|S<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2030	0.155	3	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<4>,1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7680	0.031	4	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|B<4>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7657	0.054	3	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<2>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	122.1390	0.000	1	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3973	0.475	12	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|P<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7738	0.165	20	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|P<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8867	0.172	3	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9955	0.090	2	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5267	0.188	9	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5568	0.294	18	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9160	0.459	231	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|S<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7480	0.000	1	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,1|S<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3530	0.000	1	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	122.2470	0.000	1	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	122.0780	0.000	1	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|S<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9400	0.000	1	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9309	0.207	29	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|H<1>,2|N<2>}	H(C[6a]C[5,6a]C[6a])	121.7330	0.000	1	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9686	0.335	13	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6439	0.338	68	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cd<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5950	0.052	2	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cd<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8630	0.000	1	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cd<5>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9520	0.403	4	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cd<5>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9718	0.114	4	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cd<5>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7520	0.000	1	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cd<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7580	0.120	3	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cd<8>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6320	0.325	2	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Co<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7670	0.000	1	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Co<4>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9518	0.136	10	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Co<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.0790	0.296	3	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Co<5>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9060	0.275	3	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cr<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9316	0.114	5	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<2>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9555	0.042	2	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<3>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6779	0.314	24	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8870	0.079	2	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6589	0.714	15	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<4>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9067	0.106	3	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8396	0.084	7	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<5>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6180	0.395	2	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<5>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0990	0.000	1	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<5>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5320	0.000	1	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Fe<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6749	0.157	9	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Fe<5>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8034	0.092	7	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Fe<5>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8473	0.076	3	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Fe<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8554	0.205	11	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Fe<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7221	0.443	9	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Fe<7>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8985	0.158	2	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Fe<8>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7560	0.289	3	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ga<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4280	0.121	4	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ge<1>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8650	0.000	1	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ge<5>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9010	0.134	2	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Hg<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5737	0.132	3	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Hg<4>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7346	0.276	5	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Hg<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3220	0.000	1	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<3>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5555	1.034	2	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.0847	0.633	4	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<5>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.1315	0.715	2	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7888	0.480	16	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6820	0.439	48	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<8>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7290	0.335	10	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<8>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8630	0.000	1	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<9>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7045	0.153	2	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Mn<5>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.7930	0.000	1	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Mn<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7309	0.247	16	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Mn<6>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5310	0.000	1	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Mn<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8202	0.108	6	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<4>,1|B<4>,1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6206	0.178	10	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6531	0.747	63	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<4>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8828	0.105	4	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<4>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.9380	0.401	4	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<5>,1|Si<4>,1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5827	0.125	3	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<5>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6207	0.242	3	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.0151	1.334	9	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8421	0.430	7	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ni<7>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6820	0.000	1	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Os<6>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8365	0.103	2	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Os<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3598	0.614	22	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Os<7>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3990	0.239	3	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6092	0.462	239	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7880	0.000	1	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5125	0.197	2	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6513	0.292	3	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6873	0.415	18	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<5>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8740	0.000	1	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<5>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3360	0.000	1	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0455	0.310	4	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<7>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6640	0.000	1	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8778	0.515	56	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pt<4>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7890	0.000	1	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pt<4>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	122.1560	0.000	1	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pt<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8833	0.523	4	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pt<6>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6372	0.055	4	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Re<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7345	0.388	4	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Re<6>,1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.2325	0.537	4	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Re<6>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8152	0.328	19	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Re<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7211	0.337	9	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7234	0.205	10	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7878	0.344	18	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6942	0.211	4	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<8>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.9765	0.269	2	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<5>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8880	0.014	2	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7819	0.217	12	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<6>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7907	2.988	6	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5048	0.258	6	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9336	0.847	24	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6645	0.245	2	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7025	0.151	4	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<1>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6613	0.277	19	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<1>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5660	0.000	1	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7428	0.111	4	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8316	0.544	42	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<2>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	122.0427	0.473	10	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Si<4>,1|Zn<4>,1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5456	0.238	12	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Sn<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9285	0.163	2	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Te<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7230	0.000	1	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Zn<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9528	0.097	4	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Zn<4>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8885	0.222	6	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Zn<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8110	0.251	5	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Zn<5>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8810	0.000	1	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Zn<5>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.1495	0.057	2	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Zn<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8655	0.168	8	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8233	0.586	19	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1960	0.000	1	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6640	0.000	1	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<8>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.4110	0.969	2	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Os<9>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7370	0.000	1	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<9>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7800	0.000	1	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4090	0.014	2	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|S<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5240	0.000	1	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Co<4>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7553	0.095	3	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7690	0.000	1	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<5>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	118.7080	0.000	1	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.0160	0.000	1	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5580	0.000	1	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9590	0.000	1	121.7397	0.256	1488	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cd<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5380	0.337	2	121.4022	0.181	42	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cd<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3455	0.056	2	121.4022	0.181	42	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cd<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3610	0.000	1	121.4022	0.181	42	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cd<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3830	0.000	1	121.4022	0.181	42	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cd<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3896	0.086	8	121.4022	0.181	42	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cd<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7322	1.336	4	121.4022	0.181	42	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cd<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4010	0.000	1	121.4022	0.181	42	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cd<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2660	0.086	3	121.4022	0.181	42	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cd<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4003	0.123	3	121.4022	0.181	42	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cd<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd){1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2228	0.298	5	121.4022	0.181	42	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cd<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3619	0.285	7	121.4022	0.181	42	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cd<8>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2925	0.374	2	121.4022	0.181	42	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cd<8>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cd){1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5673	0.180	3	121.4022	0.181	42	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cl)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cl){1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	122.0860	0.000	1	122.0860	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Co<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5061	0.152	15	121.3035	0.104	91	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Co<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,1|S<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6755	0.056	2	121.3035	0.104	91	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Co<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2680	0.000	1	121.3035	0.104	91	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Co<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4008	0.148	6	121.3035	0.104	91	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Co<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4307	0.384	4	121.3035	0.104	91	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Co<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3010	0.415	12	121.3035	0.104	91	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Co<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3908	0.188	5	121.3035	0.104	91	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Co<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,1|N<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0790	0.000	1	121.3035	0.104	91	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Co<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,1|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3770	0.194	3	121.3035	0.104	91	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Co<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3690	0.166	3	121.3035	0.104	91	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Co<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4698	0.195	5	121.3035	0.104	91	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3077	0.509	3	121.3035	0.104	91	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0928	0.123	9	121.3035	0.104	91	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1876	0.396	20	121.3035	0.104	91	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Co<7>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2665	0.209	2	121.3035	0.104	91	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cr)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cr<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cr){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3630	0.319	5	121.4671	0.079	12	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cr)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cr<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cr){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6160	0.209	5	121.4671	0.079	12	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cr)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cr<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cr){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3550	0.317	2	121.4671	0.079	12	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<2>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.4285	2.609	2	121.1607	0.965	88	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<2>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0820	0.000	1	121.1607	0.965	88	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<3>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8020	0.000	1	121.1607	0.965	88	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<3>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1620	0.235	3	121.1607	0.965	88	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<3>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4013	0.183	3	121.1607	0.965	88	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<3>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3255	0.019	2	121.1607	0.965	88	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3847	0.124	11	121.1607	0.965	88	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,1|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2750	0.000	1	121.1607	0.965	88	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,1|S<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9245	1.817	2	121.1607	0.965	88	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5808	2.124	11	121.1607	0.965	88	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5880	0.000	1	121.1607	0.965	88	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2724	0.171	7	121.1607	0.965	88	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3511	0.207	11	121.1607	0.965	88	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.8240	0.000	1	121.1607	0.965	88	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2108	0.267	19	121.1607	0.965	88	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.6005	2.753	2	121.1607	0.965	88	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4785	0.247	2	121.1607	0.965	88	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4207	0.207	4	121.1607	0.965	88	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3213	0.139	4	121.1607	0.965	88	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Dy)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Dy<15>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Dy){1|C<3>,1|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2550	0.216	2	121.2550	0.047	2	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Eu)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Eu<13>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Eu){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1320	0.000	1	121.0908	0.425	5	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Eu)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Eu<13>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Eu){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3305	0.429	4	121.0908	0.425	5	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Fe<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe){1|C<3>,1|S<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1570	0.000	1	121.4973	0.086	57	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Fe<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe){1|Fe<4>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5507	0.078	4	121.4973	0.086	57	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Fe<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2670	0.067	3	121.4973	0.086	57	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Fe<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3840	0.086	7	121.4973	0.086	57	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Fe<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4517	0.101	3	121.4973	0.086	57	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Fe<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3880	0.000	1	121.4973	0.086	57	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6858	0.318	9	121.4973	0.086	57	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe){1|C<3>,1|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3210	0.000	1	121.4973	0.086	57	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5259	0.295	12	121.4973	0.086	57	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4184	0.223	7	121.4973	0.086	57	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5743	0.530	7	121.4973	0.086	57	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Fe<7>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Fe){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5015	0.381	2	121.4973	0.086	57	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ga)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ga<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ga){1|Ga<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8990	0.059	2	121.3185	0.175	6	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ga)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ga<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ga){1|Ga<4>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5282	0.337	4	121.3185	0.175	6	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Gd)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Gd<15>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Gd){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7510	0.000	1	121.7510	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ge)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ge<1>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ge){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5770	0.000	1	121.7332	0.014	4	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ge)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ge<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ge){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7710	0.000	1	121.7332	0.014	4	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ge)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ge<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ge){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7925	0.101	2	121.7332	0.014	4	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9460	0.151	2	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8070	0.000	1	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Dy<15>,1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6375	0.200	2	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ho<15>,1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.1015	0.199	2	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Tb<15>,1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9280	0.000	1	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3280	0.000	1	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2180	0.000	1	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|S<1>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	121.2450	0.000	1	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5650	0.136	2	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2890	0.163	2	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.3070	0.000	1	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Fe<5>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0680	0.000	1	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4460	0.000	1	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8490	0.397	2	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3110	0.000	1	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7260	0.000	1	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<6>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7520	0.379	2	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<5>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6220	0.000	1	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	118.6150	0.000	1	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ag<2>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.8643	3.787	3	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ag<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8925	0.233	2	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|B<4>,1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4520	0.202	2	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Be<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8230	0.000	1	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.1280	0.000	1	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.1190	0.000	1	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3610	0.000	1	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7060	0.699	201	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3460	0.557	2	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4790	0.724	68	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1730	0.546	3	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8815	0.306	11	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9358	0.395	9	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8174	0.962	163	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4021	1.532	9	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cd<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8425	0.114	2	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cd<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6230	0.000	1	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cd<5>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7890	0.123	4	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cd<5>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6500	0.289	3	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cd<6>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7477	0.310	6	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cd<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8514	0.143	7	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cd<8>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5410	0.143	3	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cl<1>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1250	0.000	1	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8243	0.069	4	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<4>,1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5320	0.236	2	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<4>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7936	0.197	5	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7689	0.548	13	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<5>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5940	0.158	5	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<5>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9920	0.000	1	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<5>,1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7978	0.281	4	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<5>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7914	0.072	5	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8120	0.200	3	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<6>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6237	0.165	9	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5490	0.550	21	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Co<7>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5850	0.134	2	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cr<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7260	0.316	5	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cr<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7105	0.175	2	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<2>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	123.6735	2.702	2	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7650	0.000	1	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<3>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8768	0.209	4	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6470	0.182	8	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<4>,1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7370	0.000	1	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<4>,1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2630	1.881	2	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<4>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7460	0.000	1	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6927	0.147	12	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<5>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6509	0.439	18	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<5>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7910	0.064	4	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Cu<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6135	0.174	4	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Eu<13>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5190	0.000	1	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Eu<13>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5500	0.167	4	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Fe<4>,1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1760	0.000	1	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Fe<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7570	0.179	3	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Fe<5>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8760	0.000	1	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Fe<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.1120	0.329	10	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Fe<6>,1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6770	0.000	1	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Fe<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7262	0.259	6	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Gd<15>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3850	0.000	1	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Hg<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8423	0.095	3	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Hg<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8240	0.000	1	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|In<5>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.3280	0.137	2	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ir<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.0318	0.345	6	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ir<8>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5700	0.586	4	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mn<5>,1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8030	0.000	1	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mn<5>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4630	0.000	1	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mn<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7659	0.351	29	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mn<6>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6710	0.130	3	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mn<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6314	0.218	10	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mn<8>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5390	0.000	1	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mn<8>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6380	0.000	1	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mo<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6290	0.000	1	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mo<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5540	0.000	1	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.5590	0.000	1	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6840	0.017	2	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<4>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8440	0.000	1	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9433	0.401	3	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<5>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7800	0.000	1	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6966	1.082	22	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<6>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7344	0.159	5	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5565	2.561	15	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ni<7>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5215	0.931	4	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Os<6>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8363	0.148	4	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Os<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6440	0.000	1	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Os<9>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7840	0.000	1	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Os<9>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7985	0.534	2	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Pd<4>,1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7090	0.000	1	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9920	0.000	1	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Pt<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7162	0.190	9	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Re<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6380	0.226	4	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Re<6>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7239	0.297	10	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Re<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7940	0.000	1	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Rh<6>,1|C<3>,1|S<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	118.5070	0.000	1	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8898	0.419	9	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<6>,1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5952	0.158	6	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<6>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7372	0.200	4	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7317	0.192	11	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<8>,1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9050	0.000	1	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<8>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7637	0.343	3	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<9>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7385	0.121	2	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<9>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.1680	0.000	1	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Ru<9>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8510	0.459	3	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Se<1>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6200	0.000	1	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8947	0.287	9	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Si<4>,1|C<3>,1|S<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4885	0.071	2	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Tb<15>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8330	0.000	1	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Zn<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6644	0.274	13	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Zn<4>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	122.0430	0.206	3	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Zn<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.0434	0.465	11	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Zn<5>,1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.4235	0.134	2	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Zn<5>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2007	0.994	3	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Zn<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6480	0.169	4	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Zn<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8209	0.150	7	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5205	0.930	72	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3850	0.000	1	121.6715	0.648	1018	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Hg)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Hg<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Hg){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6243	0.295	7	121.4567	0.118	12	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Hg)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Hg<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Hg){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3820	0.172	3	121.4567	0.118	12	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Hg)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Hg<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Hg){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1420	0.000	1	121.4567	0.118	12	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Hg)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Hg<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Hg){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8220	0.000	1	121.4567	0.118	12	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ho)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ho<15>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ho){1|C<3>,1|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6900	0.000	1	120.6900	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3679	0.513	23	121.2954	0.301	67	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir){1|Ir<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6369	0.644	7	121.2954	0.301	67	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3407	0.224	6	121.2954	0.301	67	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3592	0.413	17	121.2954	0.301	67	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir){1|Ag<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1565	0.193	2	121.2954	0.301	67	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir){1|Ir<8>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5010	0.514	6	121.2954	0.301	67	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ir){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2333	0.685	6	121.2954	0.301	67	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Mn<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn){1|C<3>,1|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3610	0.000	1	121.3679	0.062	64	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Mn<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3160	0.000	1	121.3679	0.062	64	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4154	0.289	29	121.3679	0.062	64	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3253	0.211	14	121.3679	0.062	64	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn){1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2453	0.161	3	121.3679	0.062	64	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3773	0.336	3	121.3679	0.062	64	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3272	0.233	11	121.3679	0.062	64	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Mn<8>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn){1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4780	0.000	1	121.3679	0.062	64	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Mn<8>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mn){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3210	0.000	1	121.3679	0.062	64	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mo)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Mo<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mo){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9830	0.000	1	121.7605	0.099	2	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mo)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Mo<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Mo){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5380	0.000	1	121.7605	0.099	2	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]N){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9220	0.000	1	121.9275	0.000	2	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]N){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9330	0.000	1	121.9275	0.000	2	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4405	0.047	2	121.1883	1.405	79	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5927	1.347	3	121.1883	1.405	79	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni){1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	122.1940	0.000	1	121.1883	1.405	79	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1853	0.582	3	121.1883	1.405	79	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ni<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4780	0.110	3	121.1883	1.405	79	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ni<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3130	0.023	2	121.1883	1.405	79	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ni<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3690	0.000	1	121.1883	1.405	79	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8078	1.803	23	121.1883	1.405	79	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2540	0.918	9	121.1883	1.405	79	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni){1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2558	0.201	5	121.1883	1.405	79	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3230	0.173	5	121.1883	1.405	79	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4463	1.042	18	121.1883	1.405	79	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ni<7>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ni){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5605	0.427	4	121.1883	1.405	79	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7733	1.287	12	120.7733	1.658	12	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Os)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Os){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5830	0.373	2	121.3153	0.244	26	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Os)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Os){1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4620	0.221	5	121.3153	0.244	26	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Os)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Os){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2188	0.602	15	121.3153	0.244	26	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Os)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Os){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6930	0.000	1	121.3153	0.244	26	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Os)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Os<9>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Os){1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3430	0.000	1	121.3153	0.244	26	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Os)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Os<9>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Os){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2025	0.353	2	121.3153	0.244	26	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]P)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]P){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.0270	0.092	3	122.0270	0.008	3	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pd)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pd){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0080	0.356	2	121.4915	0.140	13	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pd)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pd){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3950	0.189	3	121.4915	0.140	13	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pd)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pd){1|C<3>,1|S<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1660	0.000	1	121.4915	0.140	13	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pd)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pd){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6623	0.320	3	121.4915	0.140	13	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pd)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pd){1|Pd<4>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8260	0.353	3	121.4915	0.140	13	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pd)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pd){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.5570	0.000	1	121.4915	0.140	13	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pt)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pt){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6668	0.272	5	121.4862	0.150	33	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pt)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pt){1|Pt<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2585	0.704	2	121.4862	0.150	33	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pt)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pt){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4928	0.457	9	121.4862	0.150	33	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pt)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pt){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.5278	0.381	13	121.4862	0.150	33	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pt)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Pt<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Pt){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2245	0.114	4	121.4862	0.150	33	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re){1|Au<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8380	0.000	1	121.2784	0.138	68	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3077	0.467	3	121.2784	0.138	68	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3755	0.407	15	121.2784	0.138	68	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5300	0.307	4	121.2784	0.138	68	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4860	0.301	6	121.2784	0.138	68	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re){1|Re<6>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1737	0.364	24	121.2784	0.138	68	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re){1|Re<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1737	0.276	12	121.2784	0.138	68	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3220	0.000	1	121.2784	0.138	68	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Re){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9620	0.536	2	121.2784	0.138	68	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Rh)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Rh<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Rh){1|Rh<4>,1|C<3>,1|S<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3565	0.414	4	121.1250	1.078	15	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Rh)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Rh<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Rh){1|C<3>,1|S<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	117.5350	0.000	1	121.1250	1.078	15	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Rh)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Rh<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Rh){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3390	0.000	1	121.1250	1.078	15	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Rh)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Rh<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Rh){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6090	0.000	1	121.1250	1.078	15	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Rh)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Rh<8>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Rh){1|Rh<8>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3708	0.317	8	121.1250	1.078	15	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8948	0.634	5	121.3176	0.215	40	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<3>,1|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9418	0.373	6	121.3176	0.215	40	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4538	0.127	5	121.3176	0.215	40	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4636	0.378	11	121.3176	0.215	40	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0520	0.000	1	121.3176	0.215	40	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ru<8>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<3>,1|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2990	0.000	1	121.3176	0.215	40	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3076	0.167	5	121.3176	0.215	40	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	122.6550	0.000	1	121.3176	0.215	40	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3380	0.098	2	121.3176	0.215	40	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Ru){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6633	0.298	3	121.3176	0.215	40	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]S){1|S<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3280	0.112	2	121.4437	0.046	3	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6750	0.000	1	121.4437	0.046	3	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Si)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Si){1|C<3>,1|S<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1890	0.421	2	121.0812	0.080	4	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Si)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Si){1|Si<4>,1|C<3>,1|S<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9735	0.131	2	121.0812	0.080	4	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Sn)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Sn<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Sn){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6030	0.143	2	121.6030	0.020	2	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Tb)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Tb<15>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Tb){1|C<3>,1|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4160	0.048	2	121.6820	0.213	3	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Tb)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Tb<15>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Tb){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	122.2140	0.000	1	121.6820	0.213	3	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Te)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Te<3>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Te){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5830	0.034	2	121.5830	0.001	2	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Yb)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Yb<14>,1|C<3>,1|C<5>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Yb){1|Yb<14>,1|C<3>,1|S<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3840	0.055	2	121.3840	0.003	2	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4362	0.242	18	121.3613	0.124	81	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3340	0.134	4	121.3613	0.124	81	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5907	0.066	3	121.3613	0.124	81	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5022	0.238	5	121.3613	0.124	81	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2300	0.180	10	121.3613	0.124	81	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4209	0.377	11	121.3613	0.124	81	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4840	0.000	1	121.3613	0.124	81	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|C<3>,1|N<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5540	0.000	1	121.3613	0.124	81	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5485	0.243	2	121.3613	0.124	81	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6173	1.354	3	121.3613	0.124	81	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3975	0.028	2	121.3613	0.124	81	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3053	0.359	4	121.3613	0.124	81	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3191	0.161	9	121.3613	0.124	81	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Zn){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3734	0.160	8	121.3613	0.124	81	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ge<2>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0333	0.115	6	120.0696	0.078	27	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ge<2>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C){1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0569	0.196	8	120.0696	0.078	27	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ge<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C){1|Cl<1>,1|Rh<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.8855	0.108	2	120.0696	0.078	27	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ge<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C){1|Cl<1>,1|Rh<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2660	0.242	2	120.0696	0.078	27	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ge<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C){2|Co<5>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.5045	0.392	2	120.0696	0.078	27	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ge<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C){2|Ru<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9890	0.178	2	120.0696	0.078	27	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ge<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]C){2|Ru<5>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3870	0.184	5	120.0696	0.078	27	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ge<2>,1|C<3>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Ge[5]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2451	0.140	7	120.2451	0.020	7	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Al)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Al<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Al){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.1790	0.000	1	121.8457	0.063	13	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Al)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Al<5>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Al){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8179	0.241	12	121.8457	0.063	13	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]B)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]B){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8310	0.000	1	121.8310	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|B<4>,1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.1120	0.000	1	122.2083	0.182	37	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.4177	0.478	12	122.2083	0.182	37	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.0357	0.194	3	122.2083	0.182	37	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	122.3950	0.000	1	122.2083	0.182	37	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Co<6>,1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.2400	0.000	1	122.2083	0.182	37	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Cu<4>,1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.1560	0.276	3	122.2083	0.182	37	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Ni<6>,1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.2010	0.000	1	122.2083	0.182	37	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Zn<4>,1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.2078	0.133	4	122.2083	0.182	37	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|Ni<5>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9310	0.912	4	122.2083	0.182	37	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){2|Cu<4>,1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.1670	0.000	1	122.2083	0.182	37	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){2|Cu<5>,1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.3890	0.000	1	122.2083	0.182	37	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]C){1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.0122	0.118	5	122.2083	0.182	37	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Co)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Co<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Co){1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6780	0.102	3	121.7528	0.032	11	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Co)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Co<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Co){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7950	0.000	1	121.7528	0.032	11	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Co)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Co<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Co){1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7920	0.000	1	121.7528	0.032	11	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Co)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Co<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Co){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7767	0.235	6	121.7528	0.032	11	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Cu)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Cu){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6768	0.187	5	121.6549	0.059	7	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Cu)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<4>,1|C<3>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Cu){1|Cu<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2790	0.000	1	121.6549	0.059	7	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Cu)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<5>,1|C<3>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Cu){1|Cu<5>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9210	0.000	1	121.6549	0.059	7	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.3050	0.000	1	122.0914	0.067	49	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H){1|C<3>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.0810	0.000	1	122.0914	0.067	49	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H){1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	122.1139	0.289	34	122.0914	0.067	49	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Co<4>,1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9345	0.153	4	122.0914	0.067	49	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Co<6>,1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.1355	0.211	2	122.0914	0.067	49	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Ni<6>,1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9843	0.163	3	122.0914	0.067	49	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]H){1|Zn<4>,1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.0648	0.186	4	122.0914	0.067	49	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Ni)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ni<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Ni){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7200	0.000	1	121.6280	0.222	12	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Ni)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ni<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Ni){1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8680	0.046	3	121.6280	0.222	12	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Ni)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ni<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Ni){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5265	0.558	8	121.6280	0.222	12	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.2030	0.086	3	122.3287	0.033	9	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.4036	0.207	5	122.3287	0.033	9	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O){1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	122.3310	0.000	1	122.3287	0.033	9	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Pd)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Pd){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.0420	0.000	1	122.0420	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Re)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Re<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Re){1|Re<6>,1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9482	0.618	6	121.8996	0.271	9	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Re)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Re<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Re){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8023	0.327	3	121.8996	0.271	9	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Ta)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ta<7>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Ta){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7340	0.000	1	121.7340	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Zn)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Zn<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Zn){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8042	0.220	4	121.8626	0.029	10	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Zn)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Zn<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Zn){1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9100	0.156	4	121.8626	0.029	10	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Zn)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Zn<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]Zn){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8845	0.155	2	121.8626	0.029	10	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]O[5]O){1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.5540	0.000	1	122.1613	0.125	3	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]O[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|I<1>,1|N<2>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]O[5]O){1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9650	0.134	2	122.1613	0.125	3	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|P<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]C){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7740	0.000	1	120.8580	0.056	3	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|P<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]C){1|Se<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9000	0.320	2	120.8580	0.056	3	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|P<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]H){1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3717	0.397	4	121.2317	0.134	7	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|P<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8890	0.013	2	121.2317	0.134	7	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|P<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]P[5]H){1|Se<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3570	0.000	1	121.2317	0.134	7	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]B)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]B){1|Br<1>,1|C<3>,1|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2760	0.000	1	121.2760	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]C){1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.1120	0.000	1	121.3867	0.397	3	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]C){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0240	0.066	2	121.3867	0.397	3	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]H){1|C<2>,1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2500	0.000	1	121.2500	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]Ru)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ru<6>,1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]S[5]Ru){1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6930	0.000	1	120.6930	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]B)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Se<2>,1|B<4>,1|C<3>,1|H<1>,1|N<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]B){1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5793	0.676	4	120.7178	0.439	5	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]B)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Se<2>,1|B<4>,1|C<3>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]B){1|B<4>,1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2720	0.000	1	120.7178	0.439	5	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Se[5]C){1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3619	0.275	15	121.3619	0.076	15	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Br<1>,1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2073	0.177	4	120.1256	0.088	45	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5370	0.177	2	120.1256	0.088	45	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Cl<1>,1|Rh<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3860	0.161	2	120.1256	0.088	45	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Cl<1>,1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1497	0.081	4	120.1256	0.088	45	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Co<5>,1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1572	0.139	9	120.1256	0.088	45	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Co<6>,1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2855	0.046	2	120.1256	0.088	45	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Li<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.7912	0.144	6	120.1256	0.088	45	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Rh<6>,1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0583	0.588	6	120.1256	0.088	45	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2437	0.192	6	120.1256	0.088	45	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<5>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Li<4>,1|Si<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.8375	0.168	2	120.1256	0.088	45	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<5>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]Si[5]C){2|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0795	0.015	2	120.1256	0.088	45	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Al)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Al<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Al){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7548	0.185	6	121.7155	0.031	8	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Al)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Al<6>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Al){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5975	0.101	2	121.7155	0.031	8	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Be)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Be<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Be){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7430	0.098	2	121.7430	0.010	2	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3737	0.092	3	121.6790	0.156	6	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Re<6>,1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.3090	0.000	1	121.6790	0.156	6	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9740	0.000	1	121.6790	0.156	6	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6700	0.000	1	121.6790	0.156	6	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Co)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Co<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Co){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9100	0.445	2	121.9100	0.198	2	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Cu){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7608	0.613	5	121.7608	0.376	5	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7070	0.000	1	122.0970	0.130	5	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.6480	0.000	1	122.0970	0.130	5	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9610	0.000	1	122.0970	0.130	5	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Pd<4>,1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.2360	0.000	1	122.0970	0.130	5	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Re<6>,1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9330	0.000	1	122.0970	0.130	5	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ir<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ir){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6845	0.269	2	121.6452	0.216	24	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ir<5>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ir){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5970	0.546	2	121.6452	0.216	24	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ir<6>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ir){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6658	0.291	14	121.6452	0.216	24	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ir<7>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ir){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6000	0.833	6	121.6452	0.216	24	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Li)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Li<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Li){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2625	0.122	2	121.2625	0.015	2	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Mn)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Mn<6>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Mn){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8595	0.718	2	121.8595	0.515	2	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ni<5>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ni){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6113	0.364	3	121.6816	0.087	5	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ni<6>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ni){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7870	0.214	2	121.6816	0.087	5	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Os)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Os<6>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Os){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.0806	0.353	7	122.0806	0.125	7	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Pd)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Pd){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8940	0.000	1	121.6005	0.172	2	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Pd)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Pd){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3070	0.000	1	121.6005	0.172	2	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Pt)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Pt<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Pt){1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8275	0.285	6	121.7314	0.090	8	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Pt)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Pt<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Pt){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4830	0.000	1	121.7314	0.090	8	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Pt)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Pt<5>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Pt){1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4030	0.000	1	121.7314	0.090	8	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Re)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Re<6>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Re){1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	124.5660	0.000	1	122.6523	2.755	3	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Re)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Re<6>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Re){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6955	0.127	2	122.6523	2.755	3	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ru<6>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ru){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8330	1.029	5	121.8399	0.711	7	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ru<9>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8570	0.160	2	121.8399	0.711	7	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Zn<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8386	0.120	5	121.8957	0.013	9	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Zn<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9670	0.061	4	121.8957	0.013	9	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]P[5]P)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,1|P<3>,1|P<5>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]P[5]P){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8440	0.000	1	120.8440	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]Si[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6630	0.000	1	120.6280	0.002	2	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]Si[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(N[5]Si[5]C){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5930	0.000	1	120.6280	0.002	2	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5170	0.000	1	120.8779	0.031	19	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<6>,1|C<3>,1|O<2>,1|P<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8420	0.000	1	120.8779	0.031	19	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|P<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8460	0.000	1	120.8779	0.031	19	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8925	0.074	2	120.8779	0.031	19	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<4>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8798	0.118	5	120.8779	0.031	19	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Cu<4>,1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8420	0.222	4	120.8779	0.031	19	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]C){2|Cu<4>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9848	0.200	5	120.8779	0.031	19	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Hg<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0230	0.000	1	120.9672	0.016	5	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Mo<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7740	0.000	1	120.9672	0.016	5	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|P<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0130	0.094	3	120.9672	0.016	5	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]N[5]Zn)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Zn<4>,1|C<3>,1|H<1>,1|N<3>,1|P<4>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]N[5]Zn){2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2470	0.000	1	121.2470	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5,5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4830	0.000	1	120.4830	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3285	0.265	2	120.3285	0.070	2	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Al)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Al<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Al){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8173	0.143	6	120.7716	0.022	10	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Al)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Al<5>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Al){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7030	0.146	4	120.7716	0.022	10	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3120	0.000	1	120.6613	0.355	30	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2210	0.450	2	120.6613	0.355	30	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5166	0.847	10	120.6613	0.355	30	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8627	0.364	8	120.6613	0.355	30	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<5>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]B){1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7796	0.440	9	120.6613	0.355	30	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Be)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Be<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Be){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8420	0.219	2	120.8420	0.048	2	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Bi)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Bi<5>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Bi){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1725	0.423	4	121.1725	0.179	4	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7570	0.000	1	121.1199	0.190	92	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|S<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3030	0.000	1	121.1199	0.190	92	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<2>,1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1290	0.000	1	121.1199	0.190	92	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4660	0.000	1	121.1199	0.190	92	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1157	0.266	7	121.1199	0.190	92	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|S<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8900	0.504	5	121.1199	0.190	92	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3880	0.152	5	121.1199	0.190	92	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4307	0.399	6	121.1199	0.190	92	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ir<8>,1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9840	0.021	2	121.1199	0.190	92	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4286	0.146	5	121.1199	0.190	92	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<5>,1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1990	0.000	1	121.1199	0.190	92	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<7>,1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1580	0.000	1	121.1199	0.190	92	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Ru<8>,1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3230	0.000	1	121.1199	0.190	92	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Se<1>,1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9860	0.286	2	121.1199	0.190	92	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0625	0.516	47	121.1199	0.190	92	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7190	0.000	1	121.1199	0.190	92	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0410	0.000	1	121.1199	0.190	92	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|S<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2200	0.000	1	121.1199	0.190	92	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9690	0.158	3	121.1199	0.190	92	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Co)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Co<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4705	0.152	2	120.7044	0.058	5	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Co)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Co<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9650	0.000	1	120.7044	0.058	5	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Co)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Co<6>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Co){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8080	0.105	2	120.7044	0.058	5	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<2>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Cu){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6960	0.000	1	120.5921	0.463	20	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<3>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,1|S<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9493	0.482	3	120.5921	0.463	20	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3905	0.561	2	120.5921	0.463	20	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,1|P<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4550	0.008	2	120.5921	0.463	20	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8185	0.453	2	120.5921	0.463	20	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Cu){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1722	1.184	5	120.5921	0.463	20	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<4>,1|N<3>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7400	0.000	1	120.5921	0.463	20	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<5>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8730	0.000	1	120.5921	0.463	20	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<5>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3020	0.000	1	120.5921	0.463	20	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<5>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0240	0.000	1	120.5921	0.463	20	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<6>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Cu){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1700	0.000	1	120.5921	0.463	20	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Fe)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Fe<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Fe){1|C<3>,1|P<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6278	0.106	6	120.3492	0.718	8	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Fe)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Fe<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Fe){1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	118.2670	0.000	1	120.3492	0.718	8	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Fe)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Fe<5>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Fe){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7600	0.000	1	120.3492	0.718	8	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4160	0.000	1	120.9060	0.648	64	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2960	0.000	1	120.9060	0.648	64	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9080	0.000	1	120.9060	0.648	64	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7730	0.000	1	120.9060	0.648	64	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8450	0.000	1	120.9060	0.648	64	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8410	0.000	1	120.9060	0.648	64	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2050	0.000	1	120.9060	0.648	64	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7207	0.306	6	120.9060	0.648	64	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1935	0.170	2	120.9060	0.648	64	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1460	0.000	1	120.9060	0.648	64	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9890	0.000	1	120.9060	0.648	64	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8061	1.153	26	120.9060	0.648	64	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|P<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3020	0.000	1	120.9060	0.648	64	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8960	0.000	1	120.9060	0.648	64	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2685	0.366	4	120.9060	0.648	64	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3626	0.304	5	120.9060	0.648	64	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Se<1>,1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3330	0.000	1	120.9060	0.648	64	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8308	0.607	9	120.9060	0.648	64	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|Ir<8>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ir){1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6170	0.000	1	120.7899	0.144	99	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ir<6>,1|C<4>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ir){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0800	0.000	1	120.7899	0.144	99	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ir<6>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ir){1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8190	0.000	1	120.7899	0.144	99	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ir<6>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ir){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7998	0.382	92	120.7899	0.144	99	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ir)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ir<7>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ir){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7747	0.308	4	120.7899	0.144	99	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]La)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|La<14>,1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]La){1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5030	0.680	3	120.5030	0.462	3	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Mg)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Mg<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Mg){1|Mg<4>,1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5440	0.000	1	120.5440	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Mn)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Mn<6>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Mn){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9370	0.392	2	120.9370	0.153	2	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Mo)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Mo<9>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Mo){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8540	0.045	3	120.8540	0.002	3	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ni<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ni){1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7745	0.332	12	120.8033	0.095	16	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ni<5>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ni){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5600	0.000	1	120.8033	0.095	16	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ni<6>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ni){1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8760	0.000	1	120.8033	0.095	16	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ni)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ni<6>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ni){1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0610	0.058	2	120.8033	0.095	16	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]P)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]P){1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7355	0.148	2	120.7355	0.022	2	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pd)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|Pd<4>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pd){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8075	0.186	2	120.8191	0.294	20	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pd)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pd){1|C<3>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8230	0.000	1	120.8191	0.294	20	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pd)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pd){1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7142	0.440	11	120.8191	0.294	20	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pd)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pd){1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0040	0.134	2	120.8191	0.294	20	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pd)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pd){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0200	1.041	4	120.8191	0.294	20	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pt)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Pt<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pt){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7830	0.000	1	120.5878	0.185	19	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pt)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Pt<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pt){1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9257	0.390	6	120.5878	0.185	19	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pt)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Pt<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pt){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5907	0.247	4	120.5878	0.185	19	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pt)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Pt<4>,1|N<3>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pt){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1050	0.037	2	120.5878	0.185	19	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pt)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Pt<4>,1|O<2>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pt){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9420	0.000	1	120.5878	0.185	19	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pt)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Pt<5>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pt){1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2422	0.425	4	120.5878	0.185	19	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pt)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Pt<6>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pt){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3470	0.000	1	120.5878	0.185	19	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Re)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Re<6>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Re){1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	118.3255	5.380	2	120.2555	3.072	14	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Re)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Re<6>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Re){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5772	0.456	12	120.2555	3.072	14	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Rh)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Rh<8>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Rh){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9020	0.000	1	120.9020	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ru<6>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1020	0.000	1	120.5520	0.125	4	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ru<8>,1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5450	0.000	1	120.5520	0.125	4	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ru)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ru<9>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ru){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7805	0.258	2	120.5520	0.125	4	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|S<2>,1|S<4>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]S){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6120	0.000	1	121.3137	1.149	4	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,1|S<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.9090	0.000	1	121.3137	1.149	4	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8670	0.099	2	121.3137	1.149	4	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Sn)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Sn<5>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Sn){1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5040	0.000	1	120.5040	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ta)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ta<11>,1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ta){1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9010	0.000	1	120.9010	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ti)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ti<8>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Ti){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0100	0.000	2	120.0100	0.000	2	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]U)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|U<14>,1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]U){1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6913	0.169	3	120.6410	0.033	5	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]U)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|U<16>,1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]U){1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5655	0.234	2	120.6410	0.033	5	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Yb)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Yb<14>,1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Yb){1|C<3>,1|O<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1530	0.000	1	121.1530	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Zn<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9585	0.046	2	120.8291	0.104	20	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Zn<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Zn){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8587	0.566	6	120.8291	0.104	20	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Zn<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Zn){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8422	0.194	5	120.8291	0.104	20	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Zn)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Zn<5>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Zn){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7574	0.156	7	120.8291	0.104	20	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]P[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|P<4>,1|S<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]P[5]H){1|Se<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4380	0.000	1	120.4380	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]Si[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1800	0.000	1	120.0915	0.016	2	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]Si[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]Si[5]C){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0030	0.000	1	120.0915	0.016	2	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5,6]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5,6]C){1|Se<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3160	0.000	1	120.3160	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<2>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|S<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3300	0.000	1	121.0646	0.255	13	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]C){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0808	0.528	11	121.0646	0.255	13	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Se<2>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|S<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6210	0.000	1	121.0646	0.255	13	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<4>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[3x5]S){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0730	0.000	1	121.0730	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6080	0.418	3	121.7389	0.108	12	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|B<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9135	0.317	2	121.7389	0.108	12	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.0620	0.000	1	121.7389	0.108	12	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2720	0.000	1	121.7389	0.108	12	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|Ga<5>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8925	0.101	4	121.7389	0.108	12	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]C){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3120	0.000	1	121.7389	0.108	12	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	117.4700	4.958	2	119.5733	14.095	4	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|B<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6260	0.000	1	119.5733	14.095	4	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7270	0.000	1	119.5733	14.095	4	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|P<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8345	0.047	2	120.7441	0.033	20	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|P<4>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8270	0.007	2	120.7441	0.033	20	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|P<4>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C){1|Se<1>,1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9260	0.242	2	120.7441	0.033	20	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|P<5>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6665	0.023	2	120.7441	0.033	20	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|P<5>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6707	0.128	6	120.7441	0.033	20	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|P<5>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C){2|C<3>,2|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6005	0.139	4	120.7441	0.033	20	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|P<5>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(N[5]P[5,5]C){2|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9745	0.298	2	120.7441	0.033	20	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0720	0.243	2	121.2689	0.137	14	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7480	0.000	1	121.2689	0.137	14	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0930	0.278	8	121.2689	0.137	14	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8520	0.000	1	121.2689	0.137	14	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|N<2>,1|S<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7030	0.000	1	121.2689	0.137	14	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5740	0.000	1	121.2689	0.137	14	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9090	0.000	1	121.5430	0.194	8	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|B<4>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9160	0.000	1	121.5430	0.194	8	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|B<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9490	0.000	1	121.5430	0.194	8	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8150	0.000	1	121.5430	0.194	8	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6887	0.106	4	121.5430	0.194	8	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<4>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]S){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3300	0.000	1	121.3300	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2000	0.017	2	121.2000	0.000	2	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.4010	0.000	1	122.2850	0.027	2	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.1690	0.000	1	122.2850	0.027	2	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9180	0.448	2	120.9180	0.201	2	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]Si[5,6]C[6a])(C[6a]C[6a]H)(N[5]N[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]Si[5,6]C[6a])(C[6a]C[6a]H)(N[5]N[5]H){2|C<3>,2|H<1>,2|N<3>}	H(C[6a]C[5,6a]C[6a])	120.7590	0.000	1	120.7590	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]I)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]I)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|I<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	121.5740	0.000	1	121.5740	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	120.1470	0.000	1	120.1470	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]S){1|C<3>,1|N<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8350	0.000	1	121.8350	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H){1|Co<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.3473	0.197	3	122.3638	0.034	5	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Co){1|C<3>,1|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	122.3885	0.238	2	122.3638	0.034	5	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]Cu){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.3550	0.000	1	122.3550	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6370	0.000	1	121.8446	0.342	8	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<2>}	H(C[6a]C[5,6a]C[6a])	122.7550	0.000	1	121.8446	0.342	8	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	121.3640	0.037	2	121.8446	0.342	8	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<2>,1|S<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4295	0.153	2	121.8446	0.342	8	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	122.6140	0.000	1	121.8446	0.342	8	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,2|H<1>,2|N<3>}	H(C[6a]C[5,6a]C[6a])	122.1640	0.000	1	121.8446	0.342	8	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]N[5]O){1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	122.8900	0.000	1	122.8900	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H){1|S<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	H(C[6a]C[5,6a]C[6a])	120.9600	0.068	2	120.9600	0.005	2	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pt)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H){1|Pt<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]Pt){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6a]C[5,6a]C[6a])	121.6660	0.000	1	121.6660	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.7980	0.000	1	120.9290	0.034	2	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5,6]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.0600	0.000	1	120.9290	0.034	2	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|N<3>,2|C<3>,2|C<4>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	121.2857	1.347	6	121.4013	1.342	8	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5,5]H){1|N<3>,2|O<2>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.7480	0.086	2	121.4013	1.342	8	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	121.5615	0.292	2	121.5615	0.085	2	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	121.6230	0.000	1	121.5400	0.014	2	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4570	0.000	1	121.5400	0.014	2	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	H(C[6a]C[5,6a]C[6a])	121.2390	0.000	1	121.5043	0.045	9	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4405	0.088	4	121.5043	0.045	9	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,2|O<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	121.9210	0.000	1	121.5043	0.045	9	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5845	0.254	2	121.5043	0.045	9	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4480	0.000	1	121.5043	0.045	9	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4130	0.000	1	121.6364	0.091	10	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|S<2>}	H(C[6a]C[5,6a]C[6a])	121.6840	0.000	1	121.6364	0.091	10	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4380	0.000	1	121.6364	0.091	10	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1250	0.000	1	121.6364	0.091	10	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|O<1>,2|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.8792	0.180	4	121.6364	0.091	10	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.5935	0.356	2	121.6364	0.091	10	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]N[5]O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6690	0.098	2	121.6690	0.010	2	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6088	0.658	4	121.6088	0.433	4	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|O<2>,1|S<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	124.7040	0.000	1	123.2865	4.019	2	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|Fe<5>,1|C<3>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8690	0.000	1	123.2865	4.019	2	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.7213	0.105	3	121.7213	0.011	3	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|Se<2>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(N[5]C[5]C){1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1260	0.000	1	121.1260	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]S)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]S)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|H<1>,1|O<1>,1|S<6>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.5930	0.000	1	121.5930	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]S)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7000	0.000	1	121.7000	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)(H){2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<4>,1|N<2>,1|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9610	0.000	1	121.9610	0.000	1	121.4031	0.470	7491	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:O[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]B[5]Zr)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Zr<6>,1|B<3>,1|C<3>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]B[5]Zr){1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	122.0560	0.000	1	122.0560	0.000	1	122.0560	0.000	1	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5]Hg)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]C)(H){1|Hg<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5]Hg){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.5890	0.000	1	119.5890	0.000	1	120.1712	0.110	14	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5]Mo)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]C)(H){1|Mo<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5]Mo){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9500	0.000	1	119.9500	0.000	1	120.1712	0.110	14	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]C[5]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4570	0.000	1	120.4570	0.000	1	120.1712	0.110	14	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]C[5]Ru)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|Ru<6>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]C[5]Ru){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3090	0.000	1	120.3090	0.000	1	120.1712	0.110	14	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]N[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]N[5]C){2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5500	0.000	1	120.5500	0.000	1	120.1712	0.110	14	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]N[5]Cl)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]N[5]Cl){2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5690	0.000	1	120.5690	0.000	1	120.1712	0.110	14	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5]B)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5]B){1|Yb<15>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3270	0.000	1	120.3270	0.000	1	120.1712	0.110	14	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5]Cu)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5]Cu){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2706	0.061	5	120.2706	0.004	5	120.1712	0.110	14	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]P[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|P<3>,1|P<4>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]P[5]C){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.6465	0.019	2	119.6465	0.000	2	120.1712	0.110	14	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[5a,6a]H)(H)	C[5,6a](C[5,6a]C[5a,6a]S[5])(C[6a]C[6a]H)(S[5]B[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[5a,6a]H)(H){1|B<4>,1|C<3>,1|C<4>,2|S<2>}	C[5,6a](C[5,6a]C[5a,6a]S[5])(C[6a]C[6a]H)(S[5]B[5]C){2|Br<1>,1|C<3>,1|H<1>,1|S<2>}	H(C[6a]C[5,6a]C[6a])	120.1950	0.000	1	120.1950	0.000	1	121.2641	0.164	17	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]O){1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0870	0.000	1	121.0870	0.000	1	121.2641	0.164	17	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]O){2|Cl<1>,1|O<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.6767	0.436	3	121.6767	0.190	3	121.2641	0.164	17	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]C){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5060	0.000	1	121.5060	0.000	1	121.2641	0.164	17	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]Cu)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|Cu<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]Cu){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0050	0.000	1	121.0050	0.000	1	121.2641	0.164	17	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8750	0.000	1	121.1843	0.032	7	121.2641	0.164	17	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2358	0.129	6	121.1843	0.032	7	121.2641	0.164	17	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]Rh)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|Rh<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]Rh){1|C<3>,1|P<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6880	0.000	1	121.6880	0.000	1	121.2641	0.164	17	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]O){1|C<3>,1|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2820	0.000	1	121.3440	0.008	2	121.2641	0.164	17	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]O){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4060	0.000	1	121.3440	0.008	2	121.2641	0.164	17	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Ge[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Ge[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(Ge[5]C[6a]Ge[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Ge[5])(C[6a]C[6a]H)(H){1|Ge<2>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(Ge[5]C[6a]Ge[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.7080	0.000	1	119.7080	0.000	1	119.7080	0.000	1	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:I[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(I[5]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(I[5]C[6a]O[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8470	0.000	1	120.8470	0.000	1	120.8470	0.000	1	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[3,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[3,5]C[3,5]C[3])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[3,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[3,5]C[3,5]C[3])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6930	0.000	1	121.6930	0.000	1	121.6930	0.000	1	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0600	0.000	1	121.0600	0.000	1	121.1163	0.616	119	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]2)(C[6a]C[6a]H){1|N<3>,2|C<4>,2|F<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4160	0.000	1	120.4160	0.000	1	121.1163	0.616	119	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){2|C<4>,3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3600	0.000	1	121.3600	0.000	1	121.1163	0.616	119	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|Se<2>,1|C<4>,1|H<1>,2|C<3>,2|N<2>}	H(C[6a]C[5,6a]C[6a])	121.5680	0.000	1	121.5680	0.000	1	121.1163	0.616	119	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(N[5,5]C[5,5,6]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(N[5,5]C[5,5,6]C[5])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3017	0.212	3	120.3017	0.045	3	121.1163	0.616	119	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	122.0300	0.000	1	122.0300	0.000	1	121.1163	0.616	119	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]O[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	121.7110	0.000	1	121.7110	0.000	1	121.1163	0.616	119	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|N<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1160	0.000	1	121.2303	0.020	7	121.1163	0.616	119	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3050	0.000	1	121.2303	0.020	7	121.1163	0.616	119	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2855	0.127	2	121.2303	0.020	7	121.1163	0.616	119	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2067	0.201	3	121.2303	0.020	7	121.1163	0.616	119	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5215	0.245	2	121.5215	0.060	2	121.1163	0.616	119	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]N[5,5]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]N[5,5]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4920	0.000	1	121.5215	0.002	2	121.1163	0.616	119	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]N[5,5]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,5]N[5,5]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.5510	0.000	1	121.5215	0.002	2	121.1163	0.616	119	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4060	0.000	1	120.4060	0.000	1	121.1163	0.616	119	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,5]C[5,5,6]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,5]C[5,5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|F<1>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6210	0.000	1	121.3017	0.434	4	121.1163	0.616	119	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,5]C[5,5,6]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,5]C[5,5,6]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1953	0.763	3	121.3017	0.434	4	121.1163	0.616	119	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[3x5]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3215	0.127	2	121.3215	0.016	2	121.1163	0.616	119	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0755	0.087	2	121.0755	0.008	2	121.1163	0.616	119	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0755	0.237	2	121.3232	0.102	39	121.1163	0.616	119	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4580	0.000	1	121.3232	0.102	39	121.1163	0.616	119	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4110	0.000	1	121.3232	0.102	39	121.1163	0.616	119	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|S<4>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9320	0.000	1	121.3232	0.102	39	121.1163	0.616	119	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2913	0.247	4	121.3232	0.102	39	121.1163	0.616	119	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|P<4>,2|H<1>,2|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.5027	0.094	3	121.3232	0.102	39	121.1163	0.616	119	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8270	0.000	1	121.3232	0.102	39	121.1163	0.616	119	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4990	0.198	2	121.3232	0.102	39	121.1163	0.616	119	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4287	0.100	3	121.3232	0.102	39	121.1163	0.616	119	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7517	0.199	3	121.3232	0.102	39	121.1163	0.616	119	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5198	0.191	5	121.3232	0.102	39	121.1163	0.616	119	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0880	0.031	2	121.3232	0.102	39	121.1163	0.616	119	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3155	0.030	2	121.3232	0.102	39	121.1163	0.616	119	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	121.4130	0.000	1	121.3232	0.102	39	121.1163	0.616	119	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2857	0.125	3	121.3232	0.102	39	121.1163	0.616	119	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|F<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.5900	0.000	1	121.3232	0.102	39	121.1163	0.616	119	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2760	0.000	1	121.3232	0.102	39	121.1163	0.616	119	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2620	0.016	2	121.3232	0.102	39	121.1163	0.616	119	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.5490	0.000	1	121.3232	0.102	39	121.1163	0.616	119	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]O[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.4610	0.000	1	121.4610	0.000	1	121.1163	0.616	119	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]P[5])(C[6a]C[6a]H){1|Pd<4>,1|C<3>,1|C<4>,2|O<2>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1255	0.328	4	121.1255	0.108	4	121.1163	0.616	119	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]S[5])(C[6a]C[6a]H){2|O<1>,4|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6690	0.000	1	121.6690	0.000	1	121.1163	0.616	119	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]N[5,5]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]N[5,5]C[5])(C[6a]C[6a]H){1|Pd<4>,1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8320	0.423	2	121.8320	0.179	2	121.1163	0.616	119	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]B[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]B[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.5150	0.000	1	121.3350	0.028	4	121.1163	0.616	119	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]B[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]B[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.2750	0.142	3	121.3350	0.028	4	121.1163	0.616	119	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7990	0.000	1	120.6386	4.958	5	121.1163	0.616	119	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|Cu<4>,1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9060	0.000	1	120.6386	4.958	5	121.1163	0.616	119	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.0515	3.359	2	120.6386	4.958	5	121.1163	0.616	119	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3850	0.000	1	120.6386	4.958	5	121.1163	0.616	119	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.1760	0.000	1	122.1760	0.000	1	121.1163	0.616	119	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]N[5,5]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,5]N[5,5]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	122.2120	0.000	1	122.2120	0.000	1	121.1163	0.616	119	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4770	0.000	1	120.4770	0.000	1	121.1163	0.616	119	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]2)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|P<2>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	125.2240	0.000	1	125.2240	0.000	1	121.1163	0.616	119	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3869	0.348	12	120.4741	0.119	18	121.1163	0.616	119	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5090	0.230	4	120.4741	0.119	18	121.1163	0.616	119	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0380	0.000	1	120.4741	0.119	18	121.1163	0.616	119	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|Se<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8170	0.000	1	120.4741	0.119	18	121.1163	0.616	119	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|P<2>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,5]C[5,5]P[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.2680	0.000	1	119.2680	0.000	1	121.1163	0.616	119	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5,5]Si[3x5]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|Si<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5,5]Si[3x5]C[5])(C[6a]C[6a]H){2|N<3>,3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4531	0.128	7	120.4531	0.016	7	121.1163	0.616	119	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[3x5]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[3x5]O[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.7150	0.000	1	121.7150	0.000	1	121.1163	0.616	119	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4923	0.486	3	121.4923	0.236	3	121.1163	0.616	119	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){3|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.7180	0.000	1	121.7180	0.000	1	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8555	0.224	2	121.7737	0.045	3	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.6100	0.000	1	121.7737	0.045	3	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|S<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9530	0.000	1	121.9530	0.000	1	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]S[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]S[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.8920	0.000	1	121.8920	0.000	1	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5,6]C[6a])(N[5,6]C[4,5,6,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[4,5,6]C[6a])(N[5,6]C[4,5,6,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	121.2370	0.000	1	121.2370	0.000	1	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5,6]C[4,5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5,6]C[4,5,6]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.0170	0.000	1	121.0060	0.000	2	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5,6]C[4,5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5,6]C[4,5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9950	0.000	1	121.0060	0.000	2	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,5,6,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,5,6,6]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4320	0.000	1	121.4320	0.000	1	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|C<3>,4|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9280	0.079	2	121.2686	0.051	17	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.3910	0.000	1	121.2686	0.051	17	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	121.3182	0.210	13	121.2686	0.051	17	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1830	0.000	1	121.2686	0.051	17	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,6]C[5,5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,6]C[5,5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3970	0.000	1	121.4055	0.013	4	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,6]C[5,5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,6]C[5,5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4880	0.027	2	121.4055	0.013	4	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,6]C[5,5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5,6]C[5,5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2490	0.000	1	121.4055	0.013	4	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5,6]C[5,3x6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5,6]C[5,3x6]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1650	0.000	1	121.1650	0.000	1	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1140	0.000	1	121.2395	0.032	2	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3650	0.000	1	121.2395	0.032	2	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){2|C<3>,4|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0020	0.000	1	121.0020	0.000	1	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]O[5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]O[5,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2180	0.000	1	121.3529	0.022	9	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]O[5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]O[5,6]C[6])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	121.2977	0.242	3	121.3529	0.022	9	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]O[5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]O[5,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4218	0.069	4	121.3529	0.022	9	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]O[5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]O[5,6]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3780	0.000	1	121.3529	0.022	9	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4610	0.000	1	121.3317	0.020	3	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2670	0.120	2	121.3317	0.020	3	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|F<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1490	0.000	1	121.1490	0.000	1	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1220	0.000	1	121.3039	0.172	31	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	121.4320	0.000	1	121.3039	0.172	31	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3980	0.000	1	121.3039	0.172	31	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1020	0.054	2	121.3039	0.172	31	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2440	0.055	2	121.3039	0.172	31	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7900	0.000	1	121.3039	0.172	31	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){2|C<3>,4|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0120	0.000	1	121.3039	0.172	31	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,7|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9830	0.000	1	121.3039	0.172	31	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2180	0.173	2	121.3039	0.172	31	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	121.4480	0.000	1	121.3039	0.172	31	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<2>,1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3485	0.036	2	121.3039	0.172	31	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.8800	0.000	1	121.3039	0.172	31	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.6750	0.000	1	121.3039	0.172	31	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1720	0.000	1	121.3039	0.172	31	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.5690	0.000	1	121.3039	0.172	31	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1520	0.532	2	121.3039	0.172	31	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1820	0.000	1	121.3039	0.172	31	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<2>,1|O<2>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4500	0.000	1	121.3039	0.172	31	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2535	0.066	2	121.3039	0.172	31	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.7540	0.000	1	121.3039	0.172	31	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	122.0270	0.000	1	121.3039	0.172	31	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9455	0.281	2	121.3039	0.172	31	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|I<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	121.7240	0.000	1	121.3039	0.172	31	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2760	0.000	1	121.3039	0.172	31	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]B[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]B[6])(C[6a]C[6a]H){1|B<4>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2790	0.107	2	121.2790	0.012	2	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]C[6])(C[6a]C[6a]H){1|Cu<2>,1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9830	0.000	1	121.8070	0.024	3	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]C[6])(C[6a]C[6a]H){1|Pd<4>,1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7190	0.047	2	121.8070	0.024	3	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|F<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9760	0.000	1	121.9760	0.000	1	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1910	0.000	1	121.6047	0.096	11	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5100	0.000	1	121.6047	0.096	11	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4000	0.000	1	121.6047	0.096	11	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|Cd<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8500	0.000	1	121.6047	0.096	11	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<2>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3540	0.000	1	121.6047	0.096	11	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8887	0.265	3	121.6047	0.096	11	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8490	0.000	1	121.6047	0.096	11	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4160	0.313	2	121.6047	0.096	11	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.0285	0.205	6	121.8557	0.151	19	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	121.9900	0.000	1	121.8557	0.151	19	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.8660	0.011	2	121.8557	0.151	19	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|F<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7992	0.166	6	121.8557	0.151	19	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0680	0.465	2	121.8557	0.151	19	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){2|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.6820	0.000	1	121.8557	0.151	19	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|F<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7530	0.000	1	121.8557	0.151	19	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	122.6068	0.647	4	122.3544	0.319	7	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.0180	0.182	3	122.3544	0.319	7	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|C<3>,1|S<2>,2|H<1>,2|N<3>}	H(C[6a]C[5,6a]C[6a])	121.1660	0.134	2	120.8628	0.297	54	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|F<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6900	0.000	1	120.8628	0.297	54	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,2|F<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0410	0.000	1	120.8628	0.297	54	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4710	0.000	1	120.8628	0.297	54	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|F<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,2|F<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6500	0.000	1	120.8628	0.297	54	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,2|F<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9440	0.000	1	120.8628	0.297	54	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|C<3>,1|S<2>,2|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4030	0.231	2	120.8628	0.297	54	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6930	0.000	1	120.8628	0.297	54	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1620	0.000	1	120.8628	0.297	54	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9884	0.306	17	120.8628	0.297	54	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	121.1770	0.000	1	120.8628	0.297	54	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7740	0.000	1	120.8628	0.297	54	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|F<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3447	1.245	7	120.8628	0.297	54	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9128	0.394	8	120.8628	0.297	54	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|O<2>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,2|F<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6000	0.000	1	120.8628	0.297	54	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,2|F<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8122	0.229	6	120.8628	0.297	54	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|Br<1>,1|B<4>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,2|F<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8940	0.000	1	120.8628	0.297	54	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|Cl<1>,1|B<4>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]B[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,2|F<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9660	0.000	1	120.8628	0.297	54	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0780	0.000	1	121.2198	0.484	13	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8220	0.000	1	121.2198	0.484	13	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2090	0.025	2	121.2198	0.484	13	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9800	0.000	1	121.2198	0.484	13	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7100	0.000	1	121.2198	0.484	13	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4980	0.000	1	121.2198	0.484	13	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6460	0.008	2	121.2198	0.484	13	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.1235	1.524	2	121.2198	0.484	13	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5790	0.000	1	121.2198	0.484	13	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2340	0.000	1	121.2198	0.484	13	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]O[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]O[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7830	1.563	2	120.7830	2.442	2	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	121.0464	0.958	49	121.0464	0.918	49	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]O)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5650	0.000	1	121.7043	1.431	3	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]O)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	122.2740	0.956	2	121.7043	1.431	3	121.2547	0.475	243	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3028	0.112	4	121.3028	0.012	4	121.3028	0.012	4	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(N[5]C[5,5,6,6]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(N[5]C[5,5,6,6]C)(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1030	0.000	1	120.1030	0.000	1	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4800	0.000	1	120.4800	0.000	1	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Ir<6>,1|C<3>,2|H<1>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	120.7790	0.051	2	120.7790	0.003	2	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ir<8>,1|H<1>,2|C<4>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6510	0.076	2	120.7970	0.082	8	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Os<6>,1|H<1>,2|C<4>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7240	0.000	1	120.7970	0.082	8	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Os<8>,1|H<1>,2|C<4>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5500	0.000	1	120.7970	0.082	8	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ru<9>,1|H<1>,2|C<4>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8210	0.288	3	120.7970	0.082	8	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3370	0.000	1	120.7970	0.082	8	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(N[5]C[6a]In[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|In<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5]C[6a]In[5])(C[6a]C[6a]H){1|I<1>,1|N<4>,2|C<4>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.4370	0.000	1	119.3860	0.015	4	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(N[5]C[6a]In[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|In<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5]C[6a]In[5])(C[6a]C[6a]H){2|C<4>,2|I<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.5130	0.000	1	119.3860	0.015	4	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(N[5]C[6a]In[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|In<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5]C[6a]In[5])(C[6a]C[6a]H){2|Cl<1>,2|C<4>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.3720	0.000	1	119.3860	0.015	4	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(N[5]C[6a]In[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|In<5>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5]C[6a]In[5])(C[6a]C[6a]H){2|Cl<1>,1|N<4>,2|C<4>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.2220	0.000	1	119.3860	0.015	4	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(N[5]Ga[3x5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Ga<6>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5]Ga[3x5]C[6a])(C[6a]C[6a]H){2|C<4>,2|N<3>,2|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.7860	0.188	2	119.7860	0.035	2	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(N[5]Ga[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Ga<5>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5]Ga[5,5]C[6a])(C[6a]C[6a]H){1|N<2>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1012	0.060	4	120.1012	0.004	4	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]O[4,5]C[6a])(N[5]In[4,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|In<4>,1|H<1>,1|O<3>,2|C<3>}	C[5,6a](C[5,6a]O[4,5]C[6a])(N[5]In[4,5]C[6a])(C[6a]C[6a]H){1|In<4>,1|O<3>,3|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	119.4675	0.056	2	119.4675	0.003	2	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	122.0560	1.089	4	122.4112	1.520	5	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]Cl)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,2|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	123.8320	0.000	1	122.4112	1.520	5	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5,5,6]C[6a])(N[5]C[3,5,6]S)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[3,5,5,6]C[6a])(N[5]C[3,5,6]S)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.9910	0.000	1	120.9910	0.000	1	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(N[5]C[3,5,5]S)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(N[5]C[3,5,5]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3617	0.091	3	121.3617	0.008	3	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(N[5]C[3,5,6]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(N[5]C[3,5,6]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.6670	0.000	1	120.6670	0.000	1	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2950	0.000	1	121.2950	0.000	1	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3x5,6,6]C[6a])(N[5]C[5,5,3x6]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3x5,6,6]C[6a])(N[5]C[5,5,3x6]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	120.5300	0.000	1	120.5300	0.000	1	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8940	0.120	3	120.8940	0.014	3	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5,5]C[6a])(N[5]C[4,5,5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[4,5,5]C[6a])(N[5]C[4,5,5]C)(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.7100	0.000	1	120.7100	0.000	1	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5,6]C[6a])(N[5]C[4,5,6]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[4,5,6]C[6a])(N[5]C[4,5,6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	H(C[6a]C[5,6a]C[6a])	121.4380	0.000	1	121.4380	0.000	1	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]C[6a])(C[6a]C[6a]H){2|C<6>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0100	0.100	2	121.0100	0.010	2	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]Si)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]Si)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|C<6>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9510	0.000	1	120.7897	0.034	3	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]Si)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]Si)(C[6a]C[6a]H){2|C<3>,2|C<6>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8300	0.000	1	120.7897	0.034	3	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]Si)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[4,5]C[6a])(N[5]C[4,5]Si)(C[6a]C[6a]H){1|C<3>,2|C<6>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5880	0.000	1	120.7897	0.034	3	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,3x6]C[6a])(N[5]C[5,6,6]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,3x6]C[6a])(N[5]C[5,6,6]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1700	0.000	1	121.1700	0.000	1	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(N[5]C[5,3x6]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(N[5]C[5,3x6]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	121.0940	0.000	1	121.0940	0.000	1	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(N[5]C[5,3x6]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(N[5]C[5,3x6]H)(C[6a]C[6a]H){1|C<3>,2|H<1>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	120.8490	0.011	2	120.8490	0.000	2	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(N[5]C[5,5,6]S)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(N[5]C[5,5,6]S)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0030	0.000	1	121.0030	0.000	1	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[3x5,6]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[3x5,6]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.9910	0.000	1	121.0515	0.007	2	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[3x5,6]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[3x5,6]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1120	0.000	1	121.0515	0.007	2	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6,6]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6,6]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	122.1420	0.000	1	122.1420	0.000	1	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.5150	0.000	1	121.0539	0.390	12	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8633	0.072	4	121.0539	0.390	12	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.1110	0.000	1	121.0539	0.390	12	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.1190	0.000	1	121.0539	0.390	12	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9695	0.144	2	121.0539	0.390	12	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.8195	1.336	2	121.0539	0.390	12	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8710	0.000	1	121.0539	0.390	12	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.4400	0.000	1	120.9845	0.113	10	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1785	0.037	2	120.9845	0.113	10	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.0520	0.000	1	120.9845	0.113	10	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7837	0.425	3	120.9845	0.113	10	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2150	0.031	3	120.9845	0.113	10	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]S)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5170	0.000	1	121.4740	0.004	2	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]S)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5]C[5,5,6]S)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4310	0.000	1	121.4740	0.004	2	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]B[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]B[5,5]C[6a])(C[6a]C[6a]H){1|Si<4>,1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8170	0.000	1	120.8170	0.000	1	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.0620	0.000	1	121.1500	0.015	2	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.2380	0.000	1	121.1500	0.015	2	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[5,5,6]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1790	0.000	1	121.1790	0.000	1	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2820	0.000	1	121.3726	0.013	5	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3810	0.143	3	121.3726	0.013	5	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|N<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4380	0.000	1	121.3726	0.013	5	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	120.7870	0.000	1	120.7895	0.000	2	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6]C)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7920	0.000	1	120.7895	0.000	2	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6]H)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8020	0.000	1	120.8020	0.000	1	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6]S)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6]S)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3190	0.000	1	121.3190	0.000	1	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1000	0.000	1	121.1000	0.000	1	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5]C[5,5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	H(C[6a]C[5,6a]C[6a])	118.7120	0.000	1	118.7120	0.000	1	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5x3,6x5,20x6]C[6a])(N[5]C[5x3,6x5,20x6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<6>}	C[5,6a](C[5,6a]C[5x3,6x5,20x6]C[6a])(N[5]C[5x3,6x5,20x6]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>,6|B<6>}	H(C[6a]C[5,6a]C[6a])	120.9500	0.000	1	120.9500	0.000	1	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5,6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.6963	2.396	3	119.6963	5.739	3	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5100	0.000	1	121.2645	0.155	4	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Ru<9>,1|C<3>,1|N<2>,1|N<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6900	0.000	1	121.2645	0.155	4	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9290	0.004	2	121.2645	0.155	4	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1240	0.000	1	121.1240	0.000	1	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6]N[5])(C[6a]C[6a]H){1|Os<10>,1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7080	0.000	1	121.7066	0.020	5	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6]N[5])(C[6a]C[6a]H){1|Fe<6>,1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7062	0.163	4	121.7066	0.020	5	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]B[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]B[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7630	0.156	2	120.7630	0.024	2	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	122.7820	0.000	1	121.4744	0.335	40	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9750	0.000	1	121.4744	0.335	40	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.5665	0.052	2	121.4744	0.335	40	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|N<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2760	0.000	1	121.4744	0.335	40	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4730	0.065	2	121.4744	0.335	40	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4223	0.212	3	121.4744	0.335	40	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2180	0.000	1	121.4744	0.335	40	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	122.4420	0.074	2	121.4744	0.335	40	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4600	0.000	1	121.4744	0.335	40	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3640	0.000	1	121.4744	0.335	40	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9253	0.465	4	121.4744	0.335	40	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|I<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	122.6700	0.000	1	121.4744	0.335	40	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){2|Cl<1>,1|C<3>,1|O<1>,2|H<1>,2|N<2>}	H(C[6a]C[5,6a]C[6a])	121.3390	0.000	1	121.4744	0.335	40	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9585	0.009	2	121.4744	0.335	40	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9500	0.000	1	121.4744	0.335	40	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2065	0.896	6	121.4744	0.335	40	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8760	0.000	1	121.4744	0.335	40	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){4|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0660	0.000	1	121.4744	0.335	40	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2670	0.158	3	121.4744	0.335	40	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4873	0.073	3	121.4744	0.335	40	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4990	0.000	1	121.4744	0.335	40	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1520	0.000	1	121.4744	0.335	40	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]B[5]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]B[5]C[6])(C[6a]C[6a]H){1|Ir<8>,1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9200	0.000	1	120.9200	0.000	1	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[3x6]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[3x6]C[5])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	121.7200	0.000	1	121.4082	0.069	4	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[3x6]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[3x6]C[5])(C[6a]C[6a]H){1|Ir<5>,2|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.3525	0.250	2	121.4082	0.069	4	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[3x6]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[3x6]C[5])(C[6a]C[6a]H){1|Pd<4>,1|C<3>,2|H<1>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	121.2080	0.000	1	121.4082	0.069	4	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|C<3>,1|S<1>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4415	0.151	2	121.6492	0.209	45	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	121.6315	0.100	8	121.6492	0.209	45	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Pd<4>,1|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7535	0.152	2	121.6492	0.209	45	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3100	0.188	2	121.6492	0.209	45	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6740	0.000	1	121.6492	0.209	45	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Fe<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.1663	0.399	3	121.6492	0.209	45	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Ir<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6893	0.275	3	121.6492	0.209	45	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Mn<6>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.0080	0.000	1	121.6492	0.209	45	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Mn<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4760	0.000	1	121.6492	0.209	45	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Ni<6>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9650	0.684	2	121.6492	0.209	45	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Pd<4>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9370	0.140	2	121.6492	0.209	45	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Pd<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6400	0.000	1	121.6492	0.209	45	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Pd<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2240	0.680	2	121.6492	0.209	45	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Pd<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5175	0.867	4	121.6492	0.209	45	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Re<6>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8020	0.000	1	121.6492	0.209	45	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Re<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9010	0.624	3	121.6492	0.209	45	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Ru<6>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6170	0.266	5	121.6492	0.209	45	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Ru<8>,1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9370	0.506	2	121.6492	0.209	45	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]N[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	122.4440	0.000	1	122.2745	0.057	2	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]N[5])(C[6a]C[6a]H){1|Pd<4>,1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	122.1050	0.000	1	122.2745	0.057	2	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5a]C[5])(C[6a]C[6a]H){1|Ir<8>,1|N<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5380	0.000	1	121.6055	0.009	4	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5a]C[5])(C[6a]C[6a]H){1|Ru<9>,1|C<4>,1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6640	0.112	2	121.6055	0.009	4	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5a]C[5])(C[6a]C[6a]H){1|Ru<9>,1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.5560	0.000	1	121.6055	0.009	4	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5a]N[5])(C[6a]C[6a]H){1|Cd<6>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.6200	0.000	1	122.6200	0.000	1	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6,6]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6,6]C[5])(C[6a]C[6a]H){1|Rh<6>,1|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8515	0.114	2	121.8515	0.013	2	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6]N[5])(C[6a]C[6a]H){1|Ru<6>,1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5110	0.000	1	121.5110	0.000	1	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8650	0.000	1	121.6555	0.191	167	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|N<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9070	0.072	2	121.6555	0.191	167	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8822	0.148	6	121.6555	0.191	167	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9750	0.019	3	121.6555	0.191	167	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Cu<4>,1|H<1>,1|P<4>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.7910	0.028	2	121.6555	0.191	167	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Cu<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.5420	0.000	1	121.6555	0.191	167	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Fe<4>,1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.8277	0.204	8	121.6555	0.191	167	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Fe<8>,1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4840	0.380	3	121.6555	0.191	167	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ir<5>,1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.5350	0.639	2	121.6555	0.191	167	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ir<5>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.7113	0.540	12	121.6555	0.191	167	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ir<6>,1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2664	0.388	20	121.6555	0.191	167	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ir<6>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.7379	0.513	25	121.6555	0.191	167	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ir<8>,1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2960	0.000	1	121.6555	0.191	167	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ni<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.5445	0.095	4	121.6555	0.191	167	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ni<6>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.7847	0.149	3	121.6555	0.191	167	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Os<6>,1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3180	0.266	7	121.6555	0.191	167	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Os<7>,1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3985	0.042	4	121.6555	0.191	167	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Pd<4>,1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.9935	0.500	14	121.6555	0.191	167	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Pd<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.5719	0.460	7	121.6555	0.191	167	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Pd<5>,1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0840	0.000	1	121.6555	0.191	167	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Pd<7>,1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.7440	0.000	1	121.6555	0.191	167	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Pt<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.6687	0.416	15	121.6555	0.191	167	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Re<6>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3730	0.062	2	121.6555	0.191	167	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Rh<6>,1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.8333	0.134	3	121.6555	0.191	167	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Rh<6>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.6535	0.025	2	121.6555	0.191	167	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ru<6>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	122.1750	0.000	1	121.6555	0.191	167	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ru<9>,1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6300	0.000	1	121.6555	0.191	167	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Ru<9>,1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9930	0.000	1	121.6555	0.191	167	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Se<1>,1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.5538	0.269	4	121.6555	0.191	167	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|Zn<5>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.9570	0.269	2	121.6555	0.191	167	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.8623	0.226	6	121.6555	0.191	167	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.9717	0.264	3	121.6555	0.191	167	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]Ga[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ga<2>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]Ga[5])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.7350	0.000	1	119.7885	0.006	2	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]Ga[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ga<3>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]Ga[5])(C[6a]C[6a]H){1|Fe<5>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.8420	0.000	1	119.7885	0.006	2	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]Ge[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ge<2>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]Ge[5])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3235	0.088	2	120.3235	0.008	2	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]In[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|In<2>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]In[5])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.3120	0.000	1	119.3120	0.000	1	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]P[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9290	0.000	1	120.8690	0.007	2	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]P[5])(C[6a]C[6a]H){1|Se<1>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8090	0.000	1	120.8690	0.007	2	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]Ga[5]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ga<2>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]Ga[5]C[5])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<3>}	H(C[6a]C[5,6a]C[6a])	119.8460	0.000	1	119.9540	0.023	2	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]Ga[5]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ga<3>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]Ga[5]C[5])(C[6a]C[6a]H){1|Fe<5>,2|C<3>,2|H<1>,2|N<3>}	H(C[6a]C[5,6a]C[6a])	120.0620	0.000	1	119.9540	0.023	2	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]In[5]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|In<2>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]In[5]C[5])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<3>}	H(C[6a]C[5,6a]C[6a])	119.2860	0.000	1	121.2717	2.971	3	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]In[5]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|In<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]In[5]C[5])(C[6a]C[6a]H){2|Cl<1>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	122.2645	0.168	2	121.2717	2.971	3	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]Se[5]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]Se[5]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2510	0.117	2	121.2510	0.014	2	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]Si[3x5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]Si[3x5]C)(C[6a]C[6a]H){1|C<3>,1|P<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2890	0.052	2	120.2890	0.003	2	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0660	0.000	1	121.0660	0.000	1	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(N[5]C[6a]B[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(N[5]C[6a]B[5])(C[6a]C[6a]H){2|C<4>,2|F<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1640	0.000	1	121.1640	0.000	1	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7300	0.000	1	120.7300	0.000	1	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5]B[6]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5]B[6]C[5])(C[6a]C[6a]H){1|C<3>,1|S<1>,2|H<1>,2|N<3>}	H(C[6a]C[5,6a]C[6a])	120.0505	0.103	2	120.2603	0.137	3	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5]B[6]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5]B[6]C[5])(C[6a]C[6a]H){1|C<3>,1|S<1>,2|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6800	0.000	1	120.2603	0.137	3	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	H(C[6a]C[5,6a]C[6a])	121.3590	0.000	1	121.3590	0.000	1	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[3x5]C[6a])(N[5]In[3x5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|In<5>,1|C<3>,1|C<4>,1|H<1>,1|N<4>}	C[5,6a](C[5,6a]N[3x5]C[6a])(N[5]In[3x5]C)(C[6a]C[6a]H){1|Ni<4>,2|H<1>,2|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.2020	0.000	1	119.2020	0.000	1	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5]C[5,5]Cu)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5]C[5,5]Cu)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0710	0.000	1	121.0710	0.000	1	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5]In[5,5]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|In<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5]In[5,5]C[6])(C[6a]C[6a]H){3|Cl<1>,1|N<2>,2|C<3>,2|H<1>,2|N<3>}	H(C[6a]C[5,6a]C[6a])	119.6110	0.000	1	119.6110	0.000	1	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5]P[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(N[5]P[5,5]C[6a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7330	0.000	1	120.7330	0.000	1	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(N[5]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(N[5]C[5,6]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.2430	3.971	2	119.2430	15.770	2	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(N[5]C[5,6]Cd)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Cd<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(N[5]C[5,6]Cd)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3390	0.000	1	121.3390	0.000	1	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(N[5]Ge[5,5,6]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ge<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(N[5]Ge[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	H(C[6a]C[5,6a]C[6a])	120.0115	0.015	2	120.0115	0.000	2	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(N[5]C[5,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(N[5]C[5,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5220	0.000	1	121.5305	0.000	2	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(N[5]C[5,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(N[5]C[5,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5390	0.000	1	121.5305	0.000	2	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(N[5]C[5,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(N[5]C[5,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.9590	0.000	1	121.9590	0.000	1	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]O[5,5]C[6a])(N[5]Ga[5,5]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ga<4>,1|C<3>,1|C<4>,1|H<1>,1|O<3>}	C[5,6a](C[5,6a]O[5,5]C[6a])(N[5]Ga[5,5]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.4805	0.141	2	119.4805	0.020	2	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]O[5,5]C[6a])(N[5]Ga[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Ga<4>,1|H<1>,1|O<3>,2|C<3>}	C[5,6a](C[5,6a]O[5,5]C[6a])(N[5]Ga[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.7900	0.170	2	119.7900	0.029	2	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5a]N[5])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>,2|N<3>}	H(C[6a]C[5,6a]C[6a])	122.6780	0.000	1	122.6780	0.000	1	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[3x5,6]C[6a])(N[5]C[5,5,6]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.8821	0.315	8	120.8821	0.099	8	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5]C[5,6,6]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.9050	0.000	1	120.9050	0.000	1	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.9160	0.168	2	121.9160	0.028	2	121.3258	0.598	427	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[4,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(O[4,5]In[4,5]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[4,5])(C[6a]C[6a]H)(H){2|In<6>,1|C<3>,1|C<4>,1|P<4>}	C[5,6a](C[5,6a]C[6a]P[5])(O[4,5]In[4,5]2)(C[6a]C[6a]H){4|Cl<1>,1|O<3>,1|P<4>,2|H<1>,2|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.6290	0.000	1	119.6290	0.000	1	119.6290	0.000	1	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(O[5]B[5,5a]Ag)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(H){1|Ag<4>,1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(O[5]B[5,5a]Ag)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	120.9310	0.000	1	120.9310	0.000	1	121.9484	0.943	9	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(O[5]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	122.8538	0.100	4	122.8538	0.010	4	121.9484	0.943	9	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(O[5]B[5,5]Li)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Li<4>,1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(O[5]B[5,5]Li)(C[6a]C[6a]H){1|C<3>,1|O<2>,1|O<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7480	0.508	2	121.7480	0.258	2	121.9484	0.943	9	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(O[5]B[5,5a]Li)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Li<4>,1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(O[5]B[5,5a]Li)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	120.3780	0.000	1	120.3780	0.000	1	121.9484	0.943	9	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:O[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(O[5]B[5,5a]Ni)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(H){1|Ni<4>,1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(O[5]B[5,5a]Ni)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	121.3160	0.000	1	121.3160	0.000	1	121.9484	0.943	9	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(P[5,5]P[5,5]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|P<3>}	C[5,6a](C[5,6a]C[6a]P[5])(P[5,5]P[5,5]P[5])(C[6a]C[6a]H){2|Li<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.1995	0.049	2	119.1995	0.002	2	119.1995	0.002	2	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(P[5]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(P[5]C[5,5]C[6a])(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4590	0.000	1	120.4590	0.000	1	120.1602	0.234	19	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3189	0.132	8	120.3189	0.017	8	120.1602	0.234	19	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[5])(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.7120	0.276	2	119.7120	0.076	2	120.1602	0.234	19	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3560	0.000	1	120.5670	0.129	3	120.1602	0.234	19	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6725	0.438	2	120.5670	0.129	3	120.1602	0.234	19	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]I)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|I<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]I)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2850	0.000	1	120.2850	0.000	1	120.1602	0.234	19	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3780	0.000	1	120.2505	0.033	2	120.1602	0.234	19	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1230	0.000	1	120.2505	0.033	2	120.1602	0.234	19	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]P[5,5]C[6a])(P[5]P[5,5]Li)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|Li<4>,1|C<3>,1|H<1>,2|P<3>}	C[5,6a](C[5,6a]P[5,5]C[6a])(P[5]P[5,5]Li)(C[6a]C[6a]H){1|P<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.0615	0.293	2	119.0615	0.086	2	120.1602	0.234	19	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]Ge[5])(S[5]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H){1|Ge<3>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]Ge[5])(S[5]C[6a]O[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|S<4>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.0430	0.000	1	120.0430	0.000	1	121.1612	0.258	24	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3980	1.278	2	120.3980	1.634	2	121.1612	0.258	24	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]N)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|F<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4340	0.000	1	121.5824	0.016	7	121.1612	0.258	24	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]N)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.6072	0.120	6	121.5824	0.016	7	121.1612	0.258	24	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]Ru)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|Ru<8>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]Ru)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1310	0.029	4	121.1396	0.041	14	121.1612	0.258	24	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]Ru)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|Ru<8>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]Ru)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0810	0.226	8	121.1396	0.041	14	121.1612	0.258	24	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]Ru)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|Ru<9>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]Ru)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3910	0.117	2	121.1396	0.041	14	121.1612	0.258	24	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Se[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(Se[5]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(Se[5]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4230	0.000	1	120.4230	0.000	1	120.4230	0.000	1	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5]B[5x3,5x5,20x6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<6>,1|C<4>,3|C<3>}	C[5,6a](C[5]B[5x3,5x5,20x6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<6>,2|C<4>,3|H<1>,4|B<6>}	H(C[6a]C[5,6a]C[6a])	120.2910	0.000	1	120.2910	0.000	1	120.2875	0.000	2	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5]C[5x3,5x5,20x6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|C<6>,1|H<1>,2|C<3>}	C[5,6a](C[5]C[5x3,5x5,20x6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<6>,4|B<6>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2840	0.000	1	120.2840	0.000	1	120.2875	0.000	2	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]N[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5,6]C[3x5,6,6]C[5,6])(C[5,6a]C[3,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]N[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](N[5,5,6]C[3x5,6,6]C[5,6])(C[5,6a]C[3,5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	121.7220	0.000	1	121.7220	0.000	1	121.7220	0.000	1	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]C)(H)	C[5,6a](N[5,5]C[5,6a]Nb[5,5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]C)(H){1|Nb<6>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](N[5,5]C[5,6a]Nb[5,5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){2|Cl<1>,1|O<2>,1|O<3>,2|C<4>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.0155	0.093	2	120.0933	0.022	3	120.6278	0.519	61	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]C)(H)	C[5,6a](N[5,5]C[5,6a]Nb[5,5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]C)(H){1|Nb<6>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](N[5,5]C[5,6a]Nb[5,5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){3|Cl<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2490	0.000	1	120.0933	0.022	3	120.6278	0.519	61	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]C)(H)	C[5,6a](N[5,5]C[5,6a]Si[5,5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]C)(H){1|Si<5>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](N[5,5]C[5,6a]Si[5,5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	120.3935	0.043	2	120.3935	0.002	2	120.6278	0.519	61	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5]C[5,5]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,3|C<4>}	C[5,6a](N[5,5]C[5,5]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7670	0.000	1	120.7670	0.000	1	120.6278	0.519	61	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5]C[5,6a]C[3x5])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](N[5,5]C[5,6a]C[3x5])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,2|N<3>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4760	0.000	1	121.4760	0.000	1	120.6278	0.519	61	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5]C[5,6a]C[3x5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](N[5,5]C[5,6a]C[3x5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3780	0.000	1	121.3780	0.000	1	120.6278	0.519	61	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5,6a](N[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3885	0.008	2	121.3885	0.000	2	120.6278	0.519	61	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](N[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|B<4>,1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.9500	0.000	1	121.7040	0.121	2	120.6278	0.519	61	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](N[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4580	0.000	1	121.7040	0.121	2	120.6278	0.519	61	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5]C[5,6a]Nb[5,5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|Nb<5>,1|C<4>,1|P<4>,2|C<3>}	C[5,6a](N[5,5]C[5,6a]Nb[5,5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|C<2>,1|O<2>,1|P<4>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.4660	0.153	2	119.6073	0.031	6	120.6278	0.519	61	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5]C[5,6a]Nb[5,5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|Nb<6>,1|C<4>,1|P<4>,2|C<3>}	C[5,6a](N[5,5]C[5,6a]Nb[5,5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|O<2>,1|P<4>,2|H<1>,3|C<3>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	119.6320	0.175	2	119.6073	0.031	6	120.6278	0.519	61	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5]C[5,6a]Nb[5,5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|Nb<6>,1|C<4>,1|P<4>,2|C<3>}	C[5,6a](N[5,5]C[5,6a]Nb[5,5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|P<4>,2|C<4>,2|H<1>,2|O<2>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.7240	0.174	2	119.6073	0.031	6	120.6278	0.519	61	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<3>,2|C<3>}	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6690	0.017	2	120.7096	0.043	21	120.6278	0.519	61	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<3>,2|C<3>}	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5420	0.068	2	120.7096	0.043	21	120.6278	0.519	61	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<4>,2|C<3>}	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7435	0.047	2	120.7096	0.043	21	120.6278	0.519	61	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<4>,2|C<3>}	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Se<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9615	0.177	2	120.7096	0.043	21	120.6278	0.519	61	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<5>,2|C<3>}	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8870	0.375	2	120.7096	0.043	21	120.6278	0.519	61	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<5>,2|C<3>}	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6980	0.229	5	120.7096	0.043	21	120.6278	0.519	61	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<5>,2|C<3>}	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5225	0.108	4	120.7096	0.043	21	120.6278	0.519	61	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<5>,2|C<3>}	C[5,6a](N[5,5]C[5,6a]P[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|Cl<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8575	0.023	2	120.7096	0.043	21	120.6278	0.519	61	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5]Ga[5,5]C[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|Ga<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](N[5,5]Ga[5,5]C[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|Cl<1>,1|C<4>,2|C<3>,2|H<1>,2|N<3>}	H(C[6a]C[5,6a]C[6a])	121.6238	0.102	4	121.6238	0.010	4	120.6278	0.519	61	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5]Ga[5,5]C[5,5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|Ga<5>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](N[5,5]Ga[5,5]C[5,5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){2|Cl<1>,2|C<3>,2|H<1>,2|N<3>}	H(C[6a]C[5,6a]C[6a])	121.9920	0.214	2	121.9920	0.046	2	120.6278	0.519	61	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5]In[5,5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|In<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](N[5,5]In[5,5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|Cl<1>,1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2460	0.000	1	120.2460	0.000	1	120.6278	0.519	61	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5]Nb[5,5]C[5,6])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|Nb<7>,1|C<4>,1|P<4>,2|C<3>}	C[5,6a](N[5,5]Nb[5,5]C[5,6])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){4|Cl<1>,1|C<2>,1|P<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	118.3050	0.000	1	118.3050	0.000	1	120.6278	0.519	61	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5]Si[4,5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|Si<5>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](N[5,5]Si[4,5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8635	0.124	4	120.8635	0.015	4	120.6278	0.519	61	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|Si<5>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9310	0.298	2	120.9297	0.045	3	120.6278	0.519	61	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|Si<5>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,2|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9270	0.000	1	120.9297	0.045	3	120.6278	0.519	61	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|Si<5>,1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Br<1>,1|N<3>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	119.7800	0.000	1	119.9431	0.097	7	120.6278	0.519	61	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|Si<5>,1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	119.8820	0.000	1	119.9431	0.097	7	120.6278	0.519	61	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|Si<5>,1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9520	0.215	2	119.9431	0.097	7	120.6278	0.519	61	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|Si<5>,1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5,6a](N[5,5]Si[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|N<2>,1|N<3>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0120	0.496	3	119.9431	0.097	7	120.6278	0.519	61	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,3|C<3>}	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4470	0.000	1	121.4705	0.040	6	121.4627	0.114	18	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.5455	0.234	2	121.4705	0.040	6	121.4627	0.114	18	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4283	0.255	3	121.4705	0.040	6	121.4627	0.114	18	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|S<2>,2|H<1>,2|N<2>}	H(C[6a]C[5,6a]C[6a])	121.7230	0.000	1	121.7230	0.000	1	121.4627	0.114	18	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2000	0.000	1	121.2000	0.000	1	121.4627	0.114	18	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9705	0.128	2	120.9853	0.009	3	121.4627	0.114	18	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5,6a](N[5,5a]C[5,5a]C[5a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>}	H(C[6a]C[5,6a]C[6a])	121.0150	0.000	1	120.9853	0.009	3	121.4627	0.114	18	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](N[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	122.0925	0.301	2	122.0925	0.090	2	121.4627	0.114	18	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.5070	0.000	1	121.4882	0.004	5	121.4627	0.114	18	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3800	0.000	1	121.4882	0.004	5	121.4627	0.114	18	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.5080	0.000	1	121.4882	0.004	5	121.4627	0.114	18	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.5230	0.008	2	121.4882	0.004	5	121.4627	0.114	18	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]N[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6,6]C[5,3x6]C[6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]N[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](N[5,6,6]C[5,3x6]C[6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.1960	0.000	1	121.1960	0.000	1	122.3533	1.471	9	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]N[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6,6]C[5,5,3x6]C[6,6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]N[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](N[5,6,6]C[5,5,3x6]C[6,6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,2|O<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.4830	0.000	1	121.4830	0.000	1	122.3533	1.471	9	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]N[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6,6]C[5,6,6]C[3x6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]N[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](N[5,6,6]C[5,6,6]C[3x6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	123.6795	1.930	2	122.8870	3.746	3	122.3533	1.471	9	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]N[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6,6]C[5,6,6]C[3x6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]N[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](N[5,6,6]C[5,6,6]C[3x6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3020	0.000	1	122.8870	3.746	3	122.3533	1.471	9	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]N[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6,6]N[5,6,6]B[3x6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]N[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](N[5,6,6]N[5,6,6]B[3x6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Nb<7>,1|C<3>,1|C<4>,2|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	122.1787	0.404	3	122.1787	0.163	3	122.3533	1.471	9	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]N[5,6,6]C[5,6a])(C[6a]C[6a]N)(H)	C[5,6a](N[5,6,6]C[5,3x6]C[6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]N[5,6,6]C[5,6a])(C[6a]C[6a]N)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](N[5,6,6]C[5,3x6]C[6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	123.3040	0.000	1	123.3040	0.000	1	122.3533	1.471	9	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]C)(H)	C[5,6a](N[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](N[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3570	0.000	1	121.3570	0.000	1	120.8234	1.100	85	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]B[5,6]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](N[5,6]B[5,6]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.6940	0.000	1	121.6940	0.000	1	120.8234	1.100	85	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]B[5,6]C[5,6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](N[5,6]B[5,6]C[5,6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.9410	0.000	1	121.9410	0.000	1	120.8234	1.100	85	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]B[5,6]C[5,6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](N[5,6]B[5,6]C[5,6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0440	0.000	1	121.0440	0.000	1	120.8234	1.100	85	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]B[6,6]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](N[5,6]B[6,6]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	113.2300	0.000	1	113.2300	0.000	1	120.8234	1.100	85	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[3x6]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](N[5,6]C[3x6]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1052	0.256	8	121.1052	0.066	8	120.8234	1.100	85	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[4,5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](N[5,6]C[4,5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,3|H<1>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	121.0995	0.057	4	121.0995	0.003	4	120.8234	1.100	85	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[4,5,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](N[5,6]C[4,5,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.6600	0.000	1	119.6600	0.000	1	120.8234	1.100	85	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[4,5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](N[5,6]C[4,5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9510	0.000	1	120.9510	0.000	1	120.8234	1.100	85	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3930	0.000	1	121.3055	0.021	21	120.8234	1.100	85	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.3670	0.136	8	121.3055	0.021	21	120.8234	1.100	85	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2669	0.107	7	121.3055	0.021	21	120.8234	1.100	85	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.2790	0.000	1	121.3055	0.021	21	120.8234	1.100	85	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2960	0.000	1	121.3055	0.021	21	120.8234	1.100	85	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4780	0.000	1	121.3055	0.021	21	120.8234	1.100	85	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2340	0.000	1	121.3055	0.021	21	120.8234	1.100	85	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9310	0.000	1	121.3055	0.021	21	120.8234	1.100	85	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[5,5,6]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](N[5,6]C[5,5,6]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0720	0.410	2	121.0720	0.168	2	120.8234	1.100	85	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[5,5,6]C[6,6a])(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|C<4>}	C[5,6a](N[5,6]C[5,5,6]C[6,6a])(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8313	0.077	3	120.8313	0.006	3	120.8234	1.100	85	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[5,5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](N[5,6]C[5,5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1580	0.000	1	121.1515	0.000	2	120.8234	1.100	85	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[5,5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](N[5,6]C[5,5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1450	0.000	1	121.1515	0.000	2	120.8234	1.100	85	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[5,6,6]C[6,6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](N[5,6]C[5,6,6]C[6,6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){4|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8760	0.000	1	120.8760	0.000	1	120.8234	1.100	85	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[5,6,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](N[5,6]C[5,6,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	121.3560	0.000	2	121.3560	0.000	2	120.8234	1.100	85	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[5,6]C[6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](N[5,6]C[5,6]C[6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<4>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2850	0.109	2	121.2850	0.012	2	120.8234	1.100	85	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[5,6]Ga[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|Ga<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](N[5,6]C[5,6]Ga[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6560	0.113	4	121.6568	0.010	5	120.8234	1.100	85	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[5,6]Ga[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|Ga<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](N[5,6]C[5,6]Ga[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6600	0.000	1	121.6568	0.010	5	120.8234	1.100	85	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[5,6]Nb[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|Nb<6>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](N[5,6]C[5,6]Nb[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|C<3>,2|H<1>,5|O<2>}	H(C[6a]C[5,6a]C[6a])	120.7480	0.000	1	120.7480	0.000	1	120.8234	1.100	85	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](N[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2740	0.000	1	121.0865	0.070	2	120.8234	1.100	85	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](N[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8990	0.000	1	121.0865	0.070	2	120.8234	1.100	85	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|S<2>,3|C<3>}	C[5,6a](N[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5300	0.000	1	120.5300	0.000	1	120.8234	1.100	85	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[6,6a]Nb[5,6])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|Nb<6>,1|C<4>,1|P<4>,2|C<3>}	C[5,6a](N[5,6]C[6,6a]Nb[5,6])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){2|Cl<1>,1|N<2>,1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.4310	0.018	2	119.4310	0.000	2	120.8234	1.100	85	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]Ge[5,5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|Ge<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](N[5,6]Ge[5,5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0620	0.181	2	120.0620	0.033	2	120.8234	1.100	85	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]In[5,5,6,6]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|In<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](N[5,6]In[5,5,6,6]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|H<1>,2|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.3943	0.135	3	119.3943	0.018	3	120.8234	1.100	85	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]N[5,6]Ga[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|Ga<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](N[5,6]N[5,6]Ga[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ga<4>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2830	0.376	4	121.2830	0.142	4	120.8234	1.100	85	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|Si<6>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>,3|O<2>}	H(C[6a]C[5,6a]C[6a])	119.9263	0.039	3	119.9263	0.002	3	120.8234	1.100	85	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|Si<5>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){2|O<2>,3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.9540	0.130	2	120.0448	0.016	6	120.8234	1.100	85	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|Si<5>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1405	0.128	2	120.0448	0.016	6	120.8234	1.100	85	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|Si<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){2|H<1>,2|O<2>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1180	0.000	1	120.0448	0.016	6	120.8234	1.100	85	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|Si<6>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){2|O<2>,3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.9620	0.000	1	120.0448	0.016	6	120.8234	1.100	85	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]Si[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|Si<5>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](N[5,6]Si[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	H(C[6a]C[5,6a]C[6a])	120.6630	0.037	2	120.5678	0.032	4	120.8234	1.100	85	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]Si[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|Si<5>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](N[5,6]Si[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|Si<4>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6430	0.000	1	120.5678	0.032	4	120.8234	1.100	85	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]Si[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|Si<6>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](N[5,6]Si[5,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|N<3>}	H(C[6a]C[5,6a]C[6a])	120.3020	0.000	1	120.5678	0.032	4	120.8234	1.100	85	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:N[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]N[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[5,6]B[6])(N[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]N[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5,6a](N[5,6]C[5,6]B[6])(N[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|F<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9030	0.136	2	120.9030	0.018	2	121.0550	0.079	3	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-3:N[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]N[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[5,6]C[6])(N[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]N[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](N[5,6]C[5,6]C[6])(N[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3590	0.000	1	121.3590	0.000	1	121.0550	0.079	3	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]C)(H)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.6070	0.000	1	121.6070	0.000	1	121.6309	0.212	16	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]C)(H)	C[5,6a](N[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](N[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.5400	0.000	1	121.5400	0.000	1	121.6309	0.212	16	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]Cl)(H)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]Cl)(H){1|H<1>,4|C<3>}	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|Cl<1>,1|N<2>,2|C<3>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	122.3625	0.251	2	122.3625	0.063	2	121.6309	0.212	16	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2550	0.000	1	121.2550	0.000	1	121.6309	0.212	16	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6380	0.049	3	121.6578	0.004	5	121.6309	0.212	16	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.6300	0.000	1	121.6578	0.004	5	121.6309	0.212	16	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	121.7450	0.000	1	121.6578	0.004	5	121.6309	0.212	16	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9860	0.000	1	121.9535	0.002	2	121.6309	0.212	16	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9210	0.000	1	121.9535	0.002	2	121.6309	0.212	16	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4360	0.000	1	120.4360	0.000	1	121.6309	0.212	16	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](N[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2110	0.000	1	121.2110	0.000	1	121.6309	0.212	16	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|N<3>,2|C<3>}	C[5,6a](N[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4070	0.000	1	121.5620	0.048	2	121.6309	0.212	16	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](N[5,6a]N[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.7170	0.000	1	121.5620	0.048	2	121.6309	0.212	16	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<4>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8020	0.000	1	120.8020	0.000	1	120.5185	0.158	8	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3070	0.000	1	121.3070	0.000	1	120.5185	0.158	8	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]H){1|Rh<4>,1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3920	0.232	4	120.3422	0.053	5	120.5185	0.158	8	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]H){1|Se<1>,1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1430	0.000	1	120.3422	0.053	5	120.5185	0.158	8	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]S[5])(C[5]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5,6a](N[5,6a]C[6a]S[5])(C[5]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3280	0.000	1	120.3280	0.000	1	120.5185	0.158	8	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Pd<4>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4860	0.000	1	120.5075	2.971	4	120.4570	0.279	40	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Rh<6>,1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5147	2.111	3	120.5075	2.971	4	120.4570	0.279	40	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|Rh<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6035	0.175	2	120.4900	0.054	3	120.4570	0.279	40	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|Fe<5>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2630	0.000	1	120.4900	0.054	3	120.4570	0.279	40	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Ir<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4265	0.223	2	120.4361	0.059	31	120.4570	0.279	40	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3210	0.073	3	120.4361	0.059	31	120.4570	0.279	40	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6022	0.301	5	120.4361	0.059	31	120.4570	0.279	40	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5002	0.169	16	120.4361	0.059	31	120.4570	0.279	40	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Ir<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9810	0.132	2	120.4361	0.059	31	120.4570	0.279	40	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Pd<4>,1|H<1>,1|P<4>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	119.9650	0.000	1	120.4361	0.059	31	120.4570	0.279	40	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Rh<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3815	0.040	2	120.4361	0.059	31	120.4570	0.279	40	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<2>}	C[5,6a](N[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6700	0.000	1	120.6290	0.003	2	120.4570	0.279	40	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]N[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>,2|N<2>}	C[5,6a](N[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5880	0.000	1	120.6290	0.003	2	120.4570	0.279	40	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	119.7480	0.000	1	119.7480	0.000	1	121.0784	0.208	16	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3750	0.000	1	121.0372	0.096	5	121.0784	0.208	16	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1790	0.000	1	121.0372	0.096	5	121.0784	0.208	16	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Rh<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0940	0.000	1	121.0372	0.096	5	121.0784	0.208	16	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5410	0.000	1	121.0372	0.096	5	121.0784	0.208	16	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]C){1|Pd<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9970	0.000	1	121.0372	0.096	5	121.0784	0.208	16	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6610	0.000	1	121.2967	0.043	9	121.0784	0.208	16	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2805	0.230	2	121.2967	0.043	9	121.0784	0.208	16	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1880	0.000	1	121.2967	0.043	9	121.0784	0.208	16	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2832	0.195	4	121.2967	0.043	9	121.0784	0.208	16	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1270	0.000	1	121.2967	0.043	9	121.0784	0.208	16	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H){1|Br<1>,1|O<1>,3|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]O){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6510	0.000	1	120.6510	0.000	1	121.0784	0.208	16	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[6a]-3:S[5]-3:	C[6a]-3:	C[6a](C[5,6a]N[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]N[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]O){1|O<1>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	119.7980	0.000	1	119.7980	0.000	1	119.7980	0.000	1	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6a]C[6a]C[5])(N[5]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(N[5]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1110	0.000	1	121.1110	0.000	1	121.1110	0.000	1	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](N[5]In[4,5,5]C[6a])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|In<6>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](N[5]In[4,5,5]C[6a])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,2|S<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.5630	0.216	2	119.5630	0.047	2	119.5630	0.047	2	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	O[4,4,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]O[4,4,5]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](O[4,4,5]In[3x4,5,5]In[3x4,5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]O[4,4,5]C[5,6a])(C[6a]C[6a]H)(H){2|In<6>,1|C<3>,1|H<1>,1|P<4>}	C[5,6a](O[4,4,5]In[3x4,5,5]In[3x4,5])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){3|Cl<1>,2|H<1>,2|O<3>,2|P<4>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.8830	0.422	3	119.8830	0.178	3	119.8830	0.178	3	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	O[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5,5])(C[6a]C[6a]H)(H)	C[5,6a](O[5,5]C[5,6a]Ga[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5,5])(C[6a]C[6a]H)(H){1|Ga<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](O[5,5]C[5,6a]Ga[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7155	0.159	2	120.4993	0.071	4	120.4993	0.071	4	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	O[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]O[5,5])(C[6a]C[6a]H)(H)	C[5,6a](O[5,5]C[5,6a]Ga[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]O[5,5])(C[6a]C[6a]H)(H){1|Ga<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](O[5,5]C[5,6a]Ga[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2830	0.035	2	120.4993	0.071	4	120.4993	0.071	4	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	P[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5,6])(C[6a]C[6a]H)(H)	C[5,6a](P[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5,6a](P[5,6]C[6,6a]C[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2200	0.000	1	120.2200	0.000	1	120.2200	0.000	1	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	S[3,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[3,5])(C[6a]C[6a]H)(H)	C[5,6a](S[3,5]Nb[3,3x5]S[3])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[3,5])(C[6a]C[6a]H)(H){1|Nb<7>,1|C<3>,1|H<1>,2|S<2>}	C[5,6a](S[3,5]Nb[3,3x5]S[3])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<3>,2|H<1>,4|S<2>}	H(C[6a]C[5,6a]C[6a])	120.1780	0.000	1	120.1780	0.000	1	120.1780	0.000	1	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	S[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5,5])(C[6a]C[6a]C)(H)	C[5,6a](S[5,5]In[4,3x5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5,5])(C[6a]C[6a]C)(H){1|In<6>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,6a](S[5,5]In[4,3x5]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<3>,2|H<1>,2|O<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	119.7227	0.192	8	119.7227	0.037	8	119.7227	0.037	8	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]H)(C[5]N[5]O)	H(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]H)(C[5]N[5]O){1|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]N[6a])	120.1360	0.000	1	120.1360	0.000	1	120.1360	0.000	1	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5,5])(H)	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5,5])(H){1|C<2>,6|C<3>}	C[5,6a](C[5,5]C[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){1|H<1>,1|S<2>,4|C<3>}	H(C[6a]C[5a,6a]C[5,6a])	120.3570	0.000	2	120.3570	0.000	2	120.6662	0.137	4	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5,5])(H)	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5,5])(H){7|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){1|H<1>,1|S<4>,5|C<3>}	H(C[6a]C[5a,6a]C[5,6a])	120.9755	0.169	2	120.9755	0.029	2	120.6662	0.137	4	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5,6a]C[5,5a]C[5,6a])(H)	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5,6a]C[5,5a]C[5,6a])(H){2|S<2>,5|C<3>}	C[5,6a](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){1|H<1>,1|N<2>,4|C<3>}	H(C[6a]C[5a,6a]C[5,6a])	121.9020	0.000	1	121.9020	0.000	1	121.9020	0.000	1	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5,6])(H)	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5,6])(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){2|C<3>,2|C<4>,5|H<1>}	H(C[6a]C[5a,6a]C[5,6a])	120.5780	0.000	1	120.5780	0.000	1	120.5780	0.000	1	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(H){1|C<4>,1|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){2|H<1>,6|C<3>}	H(C[6a]C[5a,6a]C[5,6a])	120.7330	0.000	1	120.7330	0.000	1	121.1495	0.172	12	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(H){1|C<2>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){1|C<2>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[5,6a])	121.1140	0.144	2	120.9617	0.048	4	121.1495	0.172	12	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(H){7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[5,6a])	120.8095	0.176	2	120.9617	0.048	4	121.1495	0.172	12	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(H){1|C<2>,6|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){1|C<2>,1|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[5,6a])	120.4270	0.000	1	120.4270	0.000	1	121.1495	0.172	12	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]2)(H){1|C<4>,1|N<2>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[5a,6a]H){1|N<2>,2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[5,6a])	121.6103	0.135	4	121.6103	0.018	4	121.1495	0.172	12	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]2)(H){1|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){1|S<2>,3|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[5,6a])	121.1730	0.041	2	121.1730	0.002	2	121.1495	0.172	12	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5,6a]C[5,6a]C[5])(H){1|S<2>,6|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|S<2>,5|C<3>}	H(C[6a]C[5a,6a]C[5,6a])	121.9700	2.286	4	122.1616	4.104	5	122.1616	4.104	5	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5,6a]C[5,6a]C[5])(H){7|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|S<2>,5|C<3>}	H(C[6a]C[5a,6a]C[5,6a])	122.9280	0.000	1	122.1616	4.104	5	122.1616	4.104	5	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5,5a]N)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(H){2|N<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5,5a]N){1|H<1>,1|S<2>,3|C<3>}	H(C[6a]C[5a,6a]C[5,6a])	121.6180	0.000	1	121.6180	0.000	1	122.0073	0.867	6	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(C[5]C[5]C)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(H){1|C<4>,1|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6a]C[5a,6a]C[5,6a])	121.8060	0.000	1	121.8060	0.000	1	122.0073	0.867	6	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(C[5]N[5]O)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]C[5])(H){1|O<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(C[5]N[5]O){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	H(C[6a]C[5a,6a]C[5,6a])	123.4400	0.000	1	123.4400	0.000	1	122.0073	0.867	6	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(C[5]C[5]O)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]C[5])(H){2|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(C[5]C[5]O){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(C[6a]C[5a,6a]C[5,6a])	122.3690	0.000	1	122.3690	0.000	1	122.0073	0.867	6	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(C[5]C[6a]C[5])	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]C[5])(H){1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5a,6a]H)(C[5]C[6a]C[5]){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[6a]C[5a,6a]C[5,6a])	122.1920	0.000	1	122.1920	0.000	1	122.0073	0.867	6	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(C[5]C[5]2)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]C[5])(H){1|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(C[5]C[5]2){1|Cl<1>,1|C<4>,1|O<1>,1|S<2>,3|C<3>}	H(C[6a]C[5a,6a]C[5,6a])	120.6190	0.000	1	120.6190	0.000	1	122.0073	0.867	6	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(N[5]C[5]C)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]N[5])(H){1|C<4>,1|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(N[5]C[5]C){1|H<1>,1|O<1>,3|C<3>}	H(C[6a]C[5a,6a]C[5,6a])	121.7080	0.000	1	121.7080	0.000	1	122.9476	0.481	14	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H){2|C<4>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[5,6a])	123.5596	0.198	5	123.3156	0.140	9	122.9476	0.481	14	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H){2|C<4>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C){1|Fe<8>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6a]C[5a,6a]C[5,6a])	122.7290	0.000	1	123.3156	0.140	9	122.9476	0.481	14	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H){2|C<4>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]C){1|Pt<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6a]C[5a,6a]C[5,6a])	123.1043	0.305	3	123.3156	0.140	9	122.9476	0.481	14	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]Co)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H){1|Co<4>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]Co){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[5,6a])	121.8595	0.030	2	121.8595	0.001	2	122.9476	0.481	14	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]H)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]H)(N[5]C[5]H){1|Co<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6a]C[5a,6a]C[5,6a])	123.0000	0.024	2	123.0000	0.001	2	122.9476	0.481	14	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6,6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6,6a]H)(C[5]N[5]O)	H(C[6a]C[6,6,6a]C[5,6a])	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5,6a]C[5,6a]C[5])(H){1|N<3>,1|O<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6,6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6a]C[6,6,6a]C[5,6a])	121.5309	0.207	12	121.5309	0.043	12	121.5309	0.043	12	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6,6a]H)	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]2)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6,6a]H){1|C<4>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6,6a])	119.6420	0.000	1	119.6420	0.000	1	119.6276	0.014	7	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]2)(H){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6,6a])	119.7475	0.186	2	119.6252	0.016	6	119.6276	0.014	7	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]2)(H){3|C<3>,5|C<4>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6,6a])	119.5640	0.031	4	119.6252	0.016	6	119.6276	0.014	7	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6,6a]H)(C[5]C[5]O)	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[5,6a]C[5,6a]C[5])(H){1|O<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6,6a]H)(C[5]C[5]O){1|N<3>,1|O<1>,2|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6,6a])	120.9850	0.000	1	120.9850	0.000	1	120.9850	0.000	1	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])(H)	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])(H){1|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){1|H<1>,1|S<4>,5|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	119.9850	0.000	1	119.9850	0.000	1	119.9850	0.000	1	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,6])(H)	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,6])(H){1|H<1>,1|N<2>,5|C<3>}	C[5,6a](C[5,6]C[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){1|H<1>,1|S<4>,4|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	121.1850	0.000	1	121.1850	0.000	1	120.7500	0.091	4	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,6])(H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,6])(H){1|H<1>,1|N<3>,5|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){1|B<4>,1|C<2>,1|H<1>,1|O<1>,3|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	120.5190	0.000	1	120.5190	0.000	1	120.7500	0.091	4	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,6])(H)	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,6])(H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){1|B<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	120.6480	0.103	2	120.6480	0.011	2	120.7500	0.091	4	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]2)(H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H){1|C<4>,1|H<1>,5|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	120.1610	0.188	2	120.2045	0.014	4	120.1989	1.370	27	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]2)(H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	120.2480	0.008	2	120.2045	0.014	4	120.1989	1.370	27	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]2)(C[5,6a]C[5,6a]2)(H){1|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){2|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	119.6620	0.000	1	119.6620	0.000	1	120.1989	1.370	27	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]B[6a])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]B[6a])(C[5,6a]C[5,6a]2)(H){1|C<4>,1|N<3>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){1|B<4>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	119.9230	0.267	2	119.9230	0.071	2	120.1989	1.370	27	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5,6a]C[5,6a]2)(H){7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H){1|H<1>,1|O<1>,5|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	119.7500	0.000	1	119.7500	0.000	1	120.1989	1.370	27	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(H){1|H<1>,1|N<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]H){1|H<1>,5|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	120.1840	0.000	1	120.1840	0.000	1	120.1989	1.370	27	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a,6a]H){1|H<1>,2|O<2>,5|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	120.4520	0.027	2	120.1790	0.224	3	120.1989	1.370	27	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a,6a]H){2|H<1>,6|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	119.6330	0.000	1	120.1790	0.224	3	120.1989	1.370	27	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){1|N<3>,2|H<1>,5|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	120.4000	0.239	2	119.8965	0.216	11	120.1989	1.370	27	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){2|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	120.0810	0.000	1	119.8965	0.216	11	120.1989	1.370	27	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	120.0015	0.049	2	119.8965	0.216	11	120.1989	1.370	27	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){2|H<1>,5|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	119.6662	0.630	4	119.8965	0.216	11	120.1989	1.370	27	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(H){7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){2|H<1>,5|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	119.6565	0.125	2	119.8965	0.216	11	120.1989	1.370	27	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(H){1|H<1>,1|P<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]P[5])(C[6a]C[6a,6a]H){1|O<1>,2|H<1>,5|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	123.5130	2.796	2	123.5130	7.817	2	120.1989	1.370	27	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(H){1|H<1>,1|S<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a,6a]H){1|H<1>,2|O<1>,5|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	119.3420	0.006	2	119.3420	0.000	2	120.1989	1.370	27	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a])(C[6a]C[6a,6a]H){1|H<1>,1|S<4>,5|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	120.0800	0.000	1	120.0800	0.000	1	120.0957	0.362	6	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a])(C[6a]C[6a,6a]H){1|H<1>,1|N<2>,5|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	121.1370	0.000	1	121.1370	0.000	1	120.0957	0.362	6	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	119.8392	0.393	4	119.8392	0.154	4	120.0957	0.362	6	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]C)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]C){1|N<2>,4|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	120.1280	0.000	1	120.1280	0.000	1	120.6363	0.284	52	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O){1|C<4>,1|O<1>,3|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	121.0190	0.096	2	121.0190	0.009	2	120.6363	0.284	52	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,5,6]O)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,5,6]O){2|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[6a,6a]C[5,6a])	120.3890	0.025	2	120.3890	0.001	2	120.6363	0.284	52	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,5a]Si)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|Si<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,5a]Si){1|H<1>,4|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	119.5220	0.000	1	119.5220	0.000	1	120.6363	0.284	52	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(C[5]N[5,6]O)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(C[5]N[5,6]O){1|B<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	120.5975	0.054	2	120.6070	0.002	3	120.6363	0.284	52	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(C[5]N[5,6]O)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(C[5]N[5,6]O){1|B<4>,1|H<1>,3|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	120.6260	0.000	1	120.6070	0.002	3	120.6363	0.284	52	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,6a]O)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|H<1>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,6a]O){1|H<1>,4|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	120.3860	0.166	3	120.3860	0.028	3	120.6363	0.284	52	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5,5]O)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5,5]O){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	H(C[6a]C[6a,6a]C[5,6a])	120.5135	0.035	2	120.5135	0.001	2	120.6363	0.284	52	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5,6]O)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5,6]O){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	H(C[6a]C[6a,6a]C[5,6a])	120.3855	0.053	2	120.3855	0.003	2	120.6363	0.284	52	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]C)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]C){1|C<4>,2|C<3>,4|H<1>}	H(C[6a]C[6a,6a]C[5,6a])	119.5860	0.000	1	119.5860	0.000	1	120.6363	0.284	52	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]N[5])	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|H<1>,1|N<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]N[5]){1|H<1>,1|N<2>,4|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	120.7145	0.057	2	120.7145	0.003	2	120.6363	0.284	52	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]O)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]O){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	H(C[6a]C[6a,6a]C[5,6a])	120.5412	0.151	5	120.6069	0.031	7	120.6363	0.284	52	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]O)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]O){1|O<1>,2|C<3>,3|H<1>}	H(C[6a]C[6a,6a]C[5,6a])	120.7710	0.148	2	120.6069	0.031	7	120.6363	0.284	52	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]C)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|H<1>,1|N<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]C){1|H<1>,3|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	120.5805	0.008	2	120.5805	0.000	2	120.6363	0.284	52	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[6a,6a]C[5,6a])	120.6345	0.090	2	120.7550	0.390	10	120.6363	0.284	52	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	120.5785	0.175	4	120.7550	0.390	10	120.6363	0.284	52	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O){1|H<1>,1|O<1>,3|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	120.6040	0.000	1	120.7550	0.390	10	120.6363	0.284	52	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[6a,6a]C[5,6a])	121.3900	1.547	2	120.7550	0.390	10	120.6363	0.284	52	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|N<3>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O){1|H<1>,1|O<1>,3|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	120.5830	0.000	1	120.7550	0.390	10	120.6363	0.284	52	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]O)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]O){2|H<1>,3|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	121.2077	0.686	3	121.0432	0.287	5	120.6363	0.284	52	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]O)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]O){1|H<1>,1|O<1>,2|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	120.7965	0.060	2	121.0432	0.287	5	120.6363	0.284	52	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a,6a]H)(C[5]C[5]H)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|P<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a,6a]H)(C[5]C[5]H){1|H<1>,1|O<1>,4|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	119.6460	0.000	1	119.6460	0.000	1	120.6363	0.284	52	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a,6a]H)(C[5]N[5]O)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|Se<2>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a,6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	119.5640	0.000	1	119.5640	0.000	1	120.6363	0.284	52	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]N)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]N){1|O<1>,3|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	121.0450	0.000	1	121.0450	0.000	1	120.6363	0.284	52	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]O)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]O){1|N<3>,3|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	121.2000	0.000	1	121.2000	0.000	1	120.6363	0.284	52	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[6a,6a]C[5,6a])	121.3060	0.000	1	121.4415	0.037	2	120.6363	0.284	52	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|H<1>,1|O<2>,2|N<2>,3|C<3>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O){3|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	121.5770	0.000	1	121.4415	0.037	2	120.6363	0.284	52	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]C)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]C[5])(H){2|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]C){1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	119.8760	0.000	1	119.8760	0.000	1	120.6363	0.284	52	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]C[5])(H){1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	H(C[6a]C[6a,6a]C[5,6a])	121.2200	0.049	2	121.2200	0.002	2	120.6363	0.284	52	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a,6a]H)(N[5]C[5]C)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H){1|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a,6a]H)(N[5]C[5]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[6a,6a]C[5,6a])	120.0920	0.000	1	120.0920	0.000	1	120.9854	0.582	49	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(N[5]C[5]S)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H){1|H<1>,1|S<4>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(N[5]C[5]S){2|C<3>,5|H<1>}	H(C[6a]C[6a,6a]C[5,6a])	120.4400	0.000	1	120.4400	0.000	1	120.9854	0.582	49	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]C)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]C){1|Re<6>,2|C<3>,2|H<1>}	H(C[6a]C[6a,6a]C[5,6a])	121.4960	0.547	7	121.4960	0.257	8	120.9854	0.582	49	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]C)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]C){2|H<1>,3|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	121.4960	0.000	1	121.4960	0.257	8	120.9854	0.582	49	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]Cr)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H){1|Cr<6>,1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]Cr){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[6a,6a]C[5,6a])	120.9640	0.000	1	120.9640	0.000	1	120.9854	0.582	49	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]H)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H){1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]H){1|Cr<6>,1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	121.2830	0.000	1	121.2830	0.000	1	120.9854	0.582	49	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]Pd)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H){1|Pd<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]Pd){1|Pd<4>,2|C<3>,2|H<1>}	H(C[6a]C[6a,6a]C[5,6a])	120.9054	0.829	9	120.9054	0.687	9	120.9854	0.582	49	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]Re)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H){1|Re<6>,1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]Re){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[6a,6a]C[5,6a])	120.8808	0.491	8	120.7566	0.876	18	120.9854	0.582	49	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]Re)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H){1|Re<6>,1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]Re){1|Re<6>,2|C<3>,2|H<1>}	H(C[6a]C[6a,6a]C[5,6a])	120.6572	1.201	10	120.7566	0.876	18	120.9854	0.582	49	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[6a]C[5])	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H){1|H<1>,1|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[6a]C[5]){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	121.7080	0.000	1	121.7080	0.000	1	120.9854	0.582	49	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]P[5]H)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H){1|N<3>,1|P<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]P[5]H){2|C<3>,2|H<1>,2|S<1>}	H(C[6a]C[6a,6a]C[5,6a])	120.7740	0.069	2	120.7740	0.005	2	120.9854	0.582	49	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(N[5]C[5]H)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H){1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(N[5]C[5]H){1|H<1>,1|S<1>,2|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	121.1220	0.000	1	121.1220	0.000	1	120.9854	0.582	49	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a,6a]H)(N[5]C[5,6]C)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(H){1|C<4>,1|N<3>,5|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a,6a]H)(N[5]C[5,6]C){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	120.8700	0.000	1	120.8700	0.000	1	120.9854	0.582	49	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(N[5]C[5]C)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]N[5])(H){3|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(N[5]C[5]C){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[6a]C[6a,6a]C[5,6a])	120.8350	0.000	1	120.8350	0.000	1	120.9854	0.582	49	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]C)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]N[5])(H){1|C<4>,1|N<2>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(N[5]C[5]C){1|Ir<6>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[6a]C[6a,6a]C[5,6a])	121.4220	0.105	4	121.4220	0.011	4	120.9854	0.582	49	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5,6])(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]S[6])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5,6])(H){1|N<3>,1|O<1>,1|O<2>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]S[6])(C[6a]C[6a,6a]H){1|C<4>,1|H<1>,1|N<2>,2|O<1>,3|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	121.4940	0.000	1	121.4940	0.000	1	121.4940	0.000	1	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5])(H)	C[5,6a](N[5,6a]B[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]C)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5])(H){1|B<3>,1|C<4>,1|H<1>,4|C<3>}	C[5,6a](N[5,6a]B[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	119.0500	0.000	1	119.0500	0.000	1	120.1683	0.564	4	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5])(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]C)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5])(H){1|C<4>,1|O<2>,5|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]C){1|C<4>,2|C<3>,2|O<1>}	H(C[6a]C[6a,6a]C[5,6a])	120.4130	0.000	1	120.4130	0.000	1	120.1683	0.564	4	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5])(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[6a]C[5])	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5])(H){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[6a]C[5]){1|O<1>,2|C<4>,5|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	120.5980	0.000	1	120.5980	0.000	1	120.1683	0.564	4	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5])(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5])(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,2|O<1>}	H(C[6a]C[6a,6a]C[5,6a])	120.6120	0.000	1	120.6120	0.000	1	120.1683	0.564	4	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]2)(H){7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.0150	0.000	1	120.0150	0.000	1	120.0150	0.000	1	121.0659	0.659	19384	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[4,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[4,6a]C[4,6,6]C[4,6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[4,6a]H)(C[5]O[5]HH)	H(C[6a]C[4,6a]C[5,6a])	C[6a](C[4,6a]C[4,6,6]C[4,6a])(C[5,6a]C[5,6a]C[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[4,6a]H)(C[5]O[5]HH){1|C<3>,1|O<1>,2|C<4>}	H(C[6a]C[4,6a]C[5,6a])	123.3060	0.000	1	123.3060	0.000	1	123.3060	0.000	1	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,5]CC)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[5])(H){1|C<3>,1|H<1>,1|O<2>,6|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,5]CC){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[6a]C[5,6a]2)	121.0715	0.238	13	121.0715	0.057	13	120.9292	0.534	119	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]HH)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]N[5])(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]HH){1|N<3>,1|O<1>,2|C<3>}	H(C[6a]C[5,6a]2)	122.9490	0.000	1	122.9490	0.000	1	120.9292	0.534	119	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6]HO)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6]HO){1|Br<1>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	H(C[6a]C[5,6a]2)	123.4010	0.000	1	122.6863	0.384	3	120.9292	0.534	119	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6]HO)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[5]C[5,6]HO){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[5,6a]2)	122.3290	0.037	2	122.6863	0.384	3	120.9292	0.534	119	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[5]C[5]CH){1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]2)	122.2100	0.000	1	122.2100	0.000	1	120.9292	0.534	119	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]HH){1|C<3>,1|N<4>,1|O<2>,4|H<1>}	H(C[6a]C[5,6a]2)	122.2080	0.000	1	122.2080	0.000	1	120.9292	0.534	119	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]CC)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){2|C<3>,2|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]CC){1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[5,6a]2)	122.4570	0.110	2	122.4570	0.012	2	120.9292	0.534	119	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]HH)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]HH){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]2)	122.2290	0.000	1	122.4860	0.132	2	120.9292	0.534	119	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]HH)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]HH){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(C[6a]C[5,6a]2)	122.7430	0.000	1	122.4860	0.132	2	120.9292	0.534	119	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]HO)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|H<1>,2|C<4>,3|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]O[5]HO){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]2)	122.3610	0.000	1	122.3610	0.000	1	120.9292	0.534	119	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]CH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6a]C[5,6a]2)	122.2505	0.025	2	122.2570	0.000	3	120.9292	0.534	119	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]CH){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]2)	122.2700	0.000	1	122.2570	0.000	3	120.9292	0.534	119	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]CN)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|N<3>,2|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]CN){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(C[6a]C[5,6a]2)	122.5450	0.090	4	122.5450	0.008	4	120.9292	0.534	119	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,3|H<1>}	H(C[6a]C[5,6a]2)	121.7030	0.000	1	121.7125	0.000	2	120.9292	0.534	119	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]HH){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]2)	121.7220	0.000	1	121.7125	0.000	2	120.9292	0.534	119	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])2(H){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]2)	120.8995	0.021	2	120.8995	0.000	2	120.9292	0.534	119	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])2(H){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|Al<4>,1|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]2)	120.6985	0.047	4	120.5358	0.051	77	120.9292	0.534	119	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])2(H){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|B<3>,1|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]2)	120.5943	0.102	4	120.5358	0.051	77	120.9292	0.534	119	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])2(H){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|B<4>,1|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]2)	120.6490	0.466	6	120.5358	0.051	77	120.9292	0.534	119	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])2(H){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|B<5>,1|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]2)	120.4687	0.173	13	120.5358	0.051	77	120.9292	0.534	119	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])2(H){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]2)	120.5930	0.030	2	120.5358	0.051	77	120.9292	0.534	119	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])2(H){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]2)	120.6638	0.149	6	120.5358	0.051	77	120.9292	0.534	119	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])2(H){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|C<3>,1|O<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]2)	120.9300	0.000	1	120.5358	0.051	77	120.9292	0.534	119	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])2(H){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|C<3>,1|P<2>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]2)	120.5980	0.016	2	120.5358	0.051	77	120.9292	0.534	119	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])2(H){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|C<3>,1|P<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]2)	120.2665	0.033	2	120.5358	0.051	77	120.9292	0.534	119	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])2(H){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|Ge<3>,1|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]2)	120.5122	0.043	6	120.5358	0.051	77	120.9292	0.534	119	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])2(H){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|Ge<4>,1|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]2)	120.4852	0.043	6	120.5358	0.051	77	120.9292	0.534	119	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])2(H){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|Si<3>,1|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]2)	120.4881	0.197	22	120.5358	0.051	77	120.9292	0.534	119	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])2(H){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){1|Si<4>,1|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]2)	120.1805	0.062	2	120.5358	0.051	77	120.9292	0.534	119	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])2(H){3|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]CC){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]2)	121.1870	0.000	1	120.5358	0.051	77	120.9292	0.534	119	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])2(H){1|C<3>,4|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]2)	120.7365	0.012	2	120.7365	0.000	2	120.9292	0.534	119	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]HH)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])2(H){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]HH){1|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]2)	120.8285	0.198	4	120.8285	0.039	4	120.9292	0.534	119	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])2(H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]2)	120.7580	0.000	1	120.7580	0.000	1	120.9292	0.534	119	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]S[5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]H)(S[5]C[5,5]OO)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]S[5])(H){1|Si<4>,1|S<4>,2|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5,6a]H)(S[5]C[5,5]OO){1|Si<4>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]2)	121.4890	0.000	1	121.4890	0.000	1	121.4890	0.000	1	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Si[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(Si[5]C[5]CC)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]Si[5])(C[5,6a]C[5,6a]C[5])(H){1|Si<4>,1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(Si[5]C[5]CC){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]2)	120.1500	0.000	1	120.1500	0.000	1	120.3400	0.072	2	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:Si[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(Si[5]C[5]CC)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]Si[5])(C[5,6a]C[5,6a]O[5])(H){1|Si<4>,1|C<3>,1|O<2>,4|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(Si[5]C[5]CC){1|C<3>,1|O<2>,3|H<1>}	H(C[6a]C[5,6a]2)	120.5300	0.000	1	120.5300	0.000	1	120.3400	0.072	2	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6,6a]C[6,6a]2)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6,6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6,6a]C[6,6a]2)(H){1|B<3>,1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6,6a]H)(C[5]C[5]HH){2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6,6a])	119.5460	0.000	1	119.5460	0.000	1	120.0005	0.413	2	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6,6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6,6a]H)(C[5]C[5]HH){2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6,6a])	120.4550	0.000	1	120.4550	0.000	1	120.0005	0.413	2	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5,5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6,6a]H)(C[5,5]C[5]3)	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6,6a]H)(C[5,5]C[5]3){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6,6a])	119.7940	0.000	1	119.7940	0.000	1	119.7940	0.000	1	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]N[5]HH)	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]2)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]N[5]HH){1|H<1>,1|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6,6a])	120.7450	0.000	1	120.7450	0.000	1	120.7396	2.731	10	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]HH)	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]HH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6,6a])	120.6640	0.000	1	120.6640	0.000	1	120.7396	2.731	10	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]HO)	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]HO){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	H(C[6a]C[5,6a]C[6,6a])	116.2170	0.000	1	116.2170	0.000	1	120.7396	2.731	10	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]O[6])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]O[6])(H){2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,5|H<1>}	H(C[6a]C[5,6a]C[6,6a])	120.4220	0.000	1	120.4220	0.000	1	120.7396	2.731	10	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]O[6])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]CH)	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]O[6])(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]CH){1|C<3>,1|O<1>,2|O<2>}	H(C[6a]C[5,6a]C[6,6a])	121.5580	0.003	6	121.5580	0.000	6	120.7396	2.731	10	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(C[5]C[5]HH)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a,6a]C[6a,6a]C[6a])(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(C[5]C[5]HH){2|H<1>,4|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	120.3277	0.272	12	120.2411	0.115	14	120.2411	0.115	14	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(C[5]C[5]HH)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a,6a]C[6a,6a]C[6a])(H){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(C[5]C[5]HH){2|H<1>,4|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	119.7215	0.220	2	120.2411	0.115	14	120.2411	0.115	14	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,6a]CC)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a,6a]2)(H){1|B<4>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,6a]CC){1|H<1>,4|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	119.4845	0.289	2	119.5067	0.043	3	119.7155	0.052	11	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,6a]CC)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a,6a]2)(H){2|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,6a]CC){1|H<1>,4|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	119.5510	0.000	1	119.5067	0.043	3	119.7155	0.052	11	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a,6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a,6a]2)(H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH){2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[6a,6a]C[5,6a])	119.8060	0.000	1	119.8023	0.016	4	119.7155	0.052	11	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a,6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a,6a]2)(H){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH){2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[6a,6a]C[5,6a])	119.9220	0.000	1	119.8023	0.016	4	119.7155	0.052	11	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a,6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a,6a]2)(H){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH){1|H<1>,4|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	119.7405	0.158	2	119.8023	0.016	4	119.7155	0.052	11	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a,6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]HH)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a,6a]2)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]HH){2|C<3>,3|H<1>}	H(C[6a]C[6a,6a]C[5,6a])	119.9745	0.023	2	119.9745	0.001	2	119.7155	0.052	11	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a,6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]S[5]HH)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a,6a]C[6a,6a]2)(H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]S[5]HH){2|H<1>,2|O<1>,3|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	119.5960	0.256	2	119.5960	0.066	2	119.7155	0.052	11	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<4>,1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9765	0.105	2	120.9765	0.011	2	120.4550	0.110	9	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6a]C[5,6a]I[5,5])(C[6a]C[6a]H)(C[5]O[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|I<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,5,6a]C[5,6a]I[5,5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6a]C[5,6a]C[6a])	120.3975	0.247	2	120.3975	0.061	2	120.4550	0.110	9	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6a]C[5,6a]Nb[5,5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6a]C[5])(C[6a]C[6a]H)(H){1|Nb<7>,1|C<3>,1|N<4>,3|H<1>}	C[5,6a](C[5,5,6a]C[5,6a]Nb[5,5])(C[6a]C[6a]H)(C[5]N[5]HH){4|Cl<1>,1|C<3>,1|H<1>,1|N<4>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.1345	0.132	2	120.1345	0.017	2	120.4550	0.110	9	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6a]C[5,6a]S[5,5])(C[6a]C[6a]H)(C[5]O[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,1|S<3>,2|C<4>}	C[5,6a](C[5,5,6a]C[5,6a]S[5,5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6a]C[5,6a]C[6a])	120.3080	0.000	1	120.3080	0.000	1	120.4550	0.110	9	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6a]C[5,6a]Se[5,5])(C[6a]C[6a]H)(C[5]O[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6a]C[5])(C[6a]C[6a]H)(H){1|Se<3>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,5,6a]C[5,6a]Se[5,5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6a]C[5,6a]C[6a])	120.3850	0.024	2	120.3850	0.001	2	120.4550	0.110	9	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,5a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5a,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(C[5]C[5]HH){2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1030	0.469	4	121.0400	0.103	8	121.0400	0.103	8	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,5a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5a,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9770	0.102	4	121.0400	0.103	8	121.0400	0.103	8	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.1560	0.000	1	121.1560	0.000	1	120.8282	0.383	17	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]F)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2170	0.000	1	121.2170	0.000	1	120.8282	0.383	17	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]CH){2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	123.0140	0.000	1	123.0140	0.000	1	120.8282	0.383	17	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7250	0.000	1	120.6877	0.009	3	120.8282	0.383	17	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5810	0.000	1	120.6877	0.009	3	120.8282	0.383	17	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|P<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7570	0.000	1	120.6877	0.009	3	120.8282	0.383	17	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8930	0.000	1	120.8930	0.000	1	120.8282	0.383	17	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]CN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	120.9920	0.000	1	120.9920	0.000	1	120.8282	0.383	17	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	120.8560	0.000	1	120.8560	0.000	1	120.8282	0.383	17	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4470	0.000	1	120.4837	0.006	7	120.8282	0.383	17	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4980	0.040	2	120.4837	0.006	7	120.8282	0.383	17	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4800	0.131	3	120.4837	0.006	7	120.8282	0.383	17	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	120.5030	0.000	1	120.4837	0.006	7	120.8282	0.383	17	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]P[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(C[5]P[5]CH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	120.5020	0.000	1	120.5020	0.000	1	120.8282	0.383	17	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(P[5]N[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(P[5]N[5]CC){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1420	0.000	1	121.1420	0.000	1	121.1420	0.000	1	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:B[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(B[5]N[5]FF)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<4>,2|C<3>,2|F<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(B[5]N[5]FF){1|H<1>,2|C<4>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.7740	0.000	1	119.7740	0.000	1	119.6500	0.031	2	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:B[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(B[5]P[5]HN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]B[5])(C[6a]C[6a]H)(H){1|N<3>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(B[5]P[5]HN){1|H<1>,2|C<4>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.5260	0.000	1	119.5260	0.000	1	119.6500	0.031	2	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[4,6a]H)(H)	C[5,6a](C[5,6a,6a]C[4,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[4,6a]H)(H){1|C<4>,1|P<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[4,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	118.9380	0.061	4	118.9943	0.068	12	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[4,6a]H)(H)	C[5,6a](C[5,6a,6a]C[4,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[4,6a]H)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[4,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.0225	0.320	8	118.9943	0.068	12	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H){1|As<2>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9540	0.446	3	120.1131	0.263	55	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H){1|As<3>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3817	0.112	3	120.1131	0.263	55	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6920	0.000	1	120.1131	0.263	55	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H){1|C<4>,1|P<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1210	0.000	1	120.1131	0.263	55	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H){1|C<4>,1|P<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1163	0.218	7	120.1131	0.263	55	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2561	0.367	21	120.1131	0.263	55	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.3576	0.153	10	120.1131	0.263	55	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H){1|Ga<4>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5400	0.000	1	120.1131	0.263	55	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H){1|In<4>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5890	0.000	1	120.1131	0.263	55	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H){1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5613	0.141	3	120.1131	0.263	55	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H){1|Si<5>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5540	0.000	1	120.1131	0.263	55	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H){1|Si<6>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6260	0.000	1	120.1131	0.263	55	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.8195	0.128	2	120.1131	0.263	55	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]P[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]P[5]HH){1|H<1>,1|O<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.3140	0.000	1	119.3745	0.007	2	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]P[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]P[5]HH){1|Pt<4>,1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.4350	0.000	1	119.3745	0.007	2	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5a,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5a,6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,2|C<4>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	118.7140	0.000	1	118.7140	0.000	1	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6,6a]H)(H)	C[5,6a](C[5,6a,6a]C[6,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6,6a]H)(H){1|B<3>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8530	0.000	1	120.7849	0.552	17	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6,6a]H)(H)	C[5,6a](C[5,6a,6a]C[6,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6,6a]H)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6436	0.560	14	120.7849	0.552	17	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6,6a]H)(H)	C[5,6a](C[5,6a,6a]C[6,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6,6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6,6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7400	1.628	2	120.7849	0.552	17	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a,6a]C[3x6a]N[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a,6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[3x6a]N[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0110	0.000	1	120.0110	0.000	1	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.9790	0.120	4	120.1663	0.065	7	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4160	0.095	3	120.1663	0.065	7	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,2|C<4>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.9920	0.000	1	119.9920	0.000	1	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,4|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6785	0.281	2	120.7204	0.040	8	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]2H){2|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7343	0.198	6	120.7204	0.040	8	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7020	0.243	2	120.7020	0.059	2	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]CN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]CN){1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6785	0.182	8	120.6741	0.029	9	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]CN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]CN){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6390	0.000	1	120.6741	0.029	9	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]CO){1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7080	0.000	1	120.7780	0.008	4	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]CO){1|H<1>,1|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7000	0.000	1	120.7780	0.008	4	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<3>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]CO){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8520	0.052	2	120.7780	0.008	4	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Al<4>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4240	0.000	1	120.6639	0.360	407	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Al<5>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5035	0.022	2	120.6639	0.360	407	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|As<1>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6827	0.381	4	120.6639	0.360	407	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|As<2>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8054	0.455	5	120.6639	0.360	407	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|As<3>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7299	0.120	7	120.6639	0.360	407	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0348	0.279	4	120.6639	0.360	407	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6370	0.000	1	120.6639	0.360	407	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Bi<5>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7470	0.402	2	120.6639	0.360	407	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7930	0.330	24	120.6639	0.360	407	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Br<2>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8320	0.000	1	120.6639	0.360	407	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|I<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9092	0.336	5	120.6639	0.360	407	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6623	1.120	13	120.6639	0.360	407	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3515	0.750	2	120.6639	0.360	407	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0810	0.000	1	120.6639	0.360	407	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|P<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7782	0.479	41	120.6639	0.360	407	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8986	0.321	96	120.6639	0.360	407	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7501	0.304	9	120.6639	0.360	407	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|S<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0112	0.642	13	120.6639	0.360	407	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8545	0.265	2	120.6639	0.360	407	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8110	0.000	1	120.6639	0.360	407	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4970	0.000	1	120.6639	0.360	407	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6901	0.226	11	120.6639	0.360	407	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.7379	0.762	52	120.6639	0.360	407	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7870	0.035	2	120.6639	0.360	407	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Hg<4>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5760	0.000	1	120.6639	0.360	407	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Pt<4>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4280	0.000	1	120.6639	0.360	407	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Sb<3>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0750	0.218	5	120.6639	0.360	407	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Sb<4>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8613	0.278	10	120.6639	0.360	407	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5199	0.432	11	120.6639	0.360	407	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Se<3>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6186	0.682	7	120.6639	0.360	407	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Si<3>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5480	0.000	1	120.6639	0.360	407	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0280	0.173	10	120.6639	0.360	407	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Sn<2>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8050	0.064	2	120.6639	0.360	407	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Sn<3>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7562	0.133	4	120.6639	0.360	407	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Sn<4>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7836	0.408	9	120.6639	0.360	407	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Sn<5>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5351	0.271	14	120.6639	0.360	407	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Sn<6>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9513	0.198	4	120.6639	0.360	407	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Te<2>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5740	0.000	1	120.6639	0.360	407	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Te<3>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6575	0.508	13	120.6639	0.360	407	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Te<5>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6840	0.250	4	120.6639	0.360	407	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6510	0.282	10	120.6639	0.360	407	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HN){1|N<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8578	0.228	5	120.8578	0.052	5	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]C[5]HO){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6920	0.000	1	120.6920	0.000	1	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]N[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]N[5]CC){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3980	0.000	1	121.3980	0.000	1	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]N[5]HO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]N[5]HO){1|H<1>,2|C<4>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2070	0.253	2	121.2070	0.064	2	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]P[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|P<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]P[5]HH){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1612	0.284	4	120.3089	0.098	7	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]P[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]P[5]HH){1|B<4>,1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7870	0.000	1	120.3089	0.098	7	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]P[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|P<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]P[5]HH){1|B<4>,1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3650	0.157	2	120.3089	0.098	7	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2917	0.302	10	120.2917	0.091	10	120.5554	0.417	552	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:N[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]B[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]B[5]CC){1|H<1>,2|F<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	122.2880	0.000	1	122.2880	0.000	1	121.9594	0.041	7	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:N[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]CC){2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.8868	0.174	4	121.9047	0.025	6	121.9594	0.041	7	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:N[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]H)(H){3|C<3>,3|C<4>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(N[5]C[5]CC){1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.9405	0.169	2	121.9047	0.025	6	121.9594	0.041	7	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H){1|P<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]CC){1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	118.9210	0.000	1	119.1266	0.284	7	118.9774	13.329	22	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H){1|P<3>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]CC){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.5160	0.000	1	119.1266	0.284	7	118.9774	13.329	22	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H){1|P<3>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]CC){1|Te<1>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.3220	0.000	1	119.1266	0.284	7	118.9774	13.329	22	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H){1|P<4>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]CC){1|H<1>,2|S<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.3075	0.197	2	119.1266	0.284	7	118.9774	13.329	22	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H){1|P<4>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]CC){1|Mo<6>,1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.4950	0.000	1	119.1266	0.284	7	118.9774	13.329	22	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H){1|P<4>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]CC){2|Se<1>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	118.0170	0.000	1	119.1266	0.284	7	118.9774	13.329	22	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]SS)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H){1|C<4>,1|P<4>,2|C<3>,2|S<1>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]SS){1|H<1>,2|C<4>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.1700	0.068	2	119.1700	0.005	2	118.9774	13.329	22	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]B[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]B[5]CC){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.8630	0.000	1	120.2084	0.116	5	118.9774	13.329	22	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]B[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]B[5]CC){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3620	0.000	1	120.2084	0.116	5	118.9774	13.329	22	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]B[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]B[5]CC){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6890	0.000	1	120.2084	0.116	5	118.9774	13.329	22	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]B[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]B[5]CC){1|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.9070	0.000	1	120.2084	0.116	5	118.9774	13.329	22	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]B[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]B[5]CC){1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2210	0.000	1	120.2084	0.116	5	118.9774	13.329	22	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]C[5]BC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]C[5]BC){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3360	0.000	1	120.3360	0.000	1	118.9774	13.329	22	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]CC){1|H<1>,1|O<1>,1|S<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.7240	0.000	1	119.7720	0.005	2	118.9774	13.329	22	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]CC){1|Se<1>,1|H<1>,1|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.8200	0.000	1	119.7720	0.005	2	118.9774	13.329	22	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]NN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]NN){1|H<1>,1|I<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7000	0.000	1	120.4290	0.094	3	118.9774	13.329	22	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]NN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]NN){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.0970	0.000	1	120.4290	0.094	3	118.9774	13.329	22	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]NN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]NN){1|H<1>,1|P<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4900	0.000	1	120.4290	0.094	3	118.9774	13.329	22	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]NO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,1|P<3>,2|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]P[5]NO){1|H<1>,1|P<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1790	0.000	1	120.1790	0.000	1	118.9774	13.329	22	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]S[5]NO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(P[5]S[5]NO){1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	102.8880	0.000	1	102.8880	0.000	1	118.9774	13.329	22	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:B[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]N[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]N[5]HH){1|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	119.5220	0.000	1	119.5220	0.000	1	119.8681	0.082	10	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:B[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]N[5]OO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]N[5]OO){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9313	0.250	6	119.9186	0.053	7	119.8681	0.082	10	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:B[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]N[5]OO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]N[5]OO){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.8420	0.000	1	119.9186	0.053	7	119.8681	0.082	10	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:B[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]O[5]OO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,3|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(B[5]O[5]OO){1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2390	0.000	1	120.2390	0.000	1	119.8681	0.082	10	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:B[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(B[5]O[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,1|P<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(B[5]O[5]HH){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.4900	0.000	1	119.4900	0.000	1	119.8681	0.082	10	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6,6]C[6a])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6,6]C[6a])(H){1|C<3>,1|O<2>,2|H<1>,2|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.2320	0.000	1	119.2320	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.8480	0.000	1	119.8480	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	119.8320	0.000	1	119.8320	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9170	0.000	1	119.9170	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	120.2885	0.029	2	120.2885	0.001	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]H)(H)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(C[6a]C[5,6a]C[6a])	122.2165	2.353	2	122.2165	5.534	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a]C[6a])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a]C[6a])(H){2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1065	0.193	2	120.1065	0.037	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a]C[6a])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	120.1810	0.000	1	120.1810	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6,6a]H)(H)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6,6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2660	0.000	1	120.4037	0.324	3	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6,6a]H)(H)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6,6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4725	0.787	2	120.4037	0.324	3	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6,6a]H)(H)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6,6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8980	0.386	2	120.8980	0.149	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6,6a]O)(H)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6,6a]O)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	121.1060	0.000	1	121.1060	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]Br)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]Br)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7455	0.011	2	120.7455	0.000	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[3,5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[3,5])(C[6a]C[6a]H)(C[5]C[5]HH){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	117.1170	0.000	1	117.1170	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1140	0.000	1	120.1140	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4130	0.000	1	120.4130	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.8615	1.218	13	120.0137	2.003	20	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	116.4370	0.000	1	120.0137	2.003	20	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.7265	0.292	2	120.0137	2.003	20	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<4>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4420	0.000	1	120.0137	2.003	20	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|S<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7370	0.000	1	120.0137	2.003	20	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6190	0.000	1	120.0137	2.003	20	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3860	0.000	1	120.0137	2.003	20	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0180	0.000	1	121.0180	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|N<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5800	0.000	1	120.5800	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2660	0.000	1	120.5280	0.137	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|S<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7900	0.000	1	120.5280	0.137	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4110	0.000	1	120.4110	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]P[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a,6a]P[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	118.0090	0.000	1	118.0090	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|C<4>,1|N<3>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC){2|C<3>,2|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	120.7260	0.000	1	120.7260	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]Si[5,5])(C[6a]C[6a]H)(C[5]O[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|Si<4>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a,6a]Si[5,5])(C[6a]C[6a]H)(C[5]O[5]CC){1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6480	0.000	1	120.6480	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]O)(H)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]O)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|O<1>,1|O<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8860	0.000	1	120.8860	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|B<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.8050	0.000	1	120.0465	0.117	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H){1|H<1>,3|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2880	0.000	1	120.0465	0.117	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.7100	0.000	1	119.9690	0.306	9	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	120.8500	0.397	2	119.9690	0.306	9	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	119.6265	0.253	4	119.9690	0.306	9	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H){2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.8680	0.000	1	119.9690	0.306	9	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|B<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9370	0.000	1	119.9690	0.306	9	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|S<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2141	0.201	8	120.2417	0.035	10	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3890	0.000	1	120.2417	0.035	10	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H){1|N<3>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3150	0.000	1	120.2417	0.035	10	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2170	0.000	1	120.2170	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.6900	0.000	1	119.6900	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.2140	0.000	1	119.2140	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0290	0.000	1	121.1633	0.155	20	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|C<3>,1|N<3>,1|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1550	0.000	1	121.1633	0.155	20	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6a]C[5,6a]C[6a])	121.4315	0.023	2	121.1633	0.155	20	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0405	0.609	4	121.1633	0.155	20	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3210	0.000	1	121.1633	0.155	20	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|H<1>,1|O<1>,1|S<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1247	0.302	3	121.1633	0.155	20	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|H<1>,1|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8500	0.829	2	121.1633	0.155	20	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	121.2770	0.295	6	121.1633	0.155	20	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|Br<1>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1825	0.545	2	121.1825	0.297	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(C[6a]C[5,6a]C[6a])	121.6100	0.000	1	121.6100	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|Br<1>,1|C<3>,1|H<1>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	121.9530	0.000	1	121.9530	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|Br<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2520	0.000	1	121.5850	0.058	4	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|O<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|Br<1>,1|C<3>,1|H<1>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	121.7005	0.165	2	121.5850	0.058	4	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|O<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|Br<1>,1|H<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.6870	0.000	1	121.5850	0.058	4	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|Br<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.5295	0.614	2	121.5295	0.378	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|Br<1>,1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1500	0.000	1	121.1500	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	121.4070	0.000	1	121.3367	0.056	10	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Br<1>,1|C<3>,1|O<1>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	121.6640	0.000	1	121.3367	0.056	10	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4010	0.000	1	121.3367	0.056	10	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2235	0.094	2	121.3367	0.056	10	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|Br<1>,1|C<3>,1|C<4>}	H(C[6a]C[5,6a]C[6a])	121.5120	0.000	1	121.3367	0.056	10	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	120.8320	0.000	1	121.3367	0.056	10	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3680	0.180	3	121.3367	0.056	10	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	121.3780	0.000	1	121.3780	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|Br<1>,1|S<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8360	0.000	1	121.0250	0.071	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|Br<1>,1|Si<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2140	0.000	1	121.0250	0.071	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	121.0699	0.494	7	121.1156	0.226	8	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	121.4360	0.000	1	121.1156	0.226	8	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<2>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	121.4670	0.000	1	121.2873	0.164	12	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	121.3091	0.489	8	121.2873	0.164	12	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1693	0.158	3	121.2873	0.164	12	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2420	0.000	1	120.7246	0.796	7	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8230	0.000	1	120.7246	0.796	7	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|S<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0050	0.000	1	120.7246	0.796	7	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7340	0.000	1	120.7246	0.796	7	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	119.8280	1.423	2	120.7246	0.796	7	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.6120	0.000	1	120.7246	0.796	7	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]NO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]NO){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	121.2240	0.000	1	121.2240	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|Br<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2510	0.096	2	121.2510	0.009	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|Br<1>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4960	0.000	1	121.3326	0.034	5	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|Br<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2918	0.184	4	121.3326	0.034	5	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){2|C<3>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|Br<1>,1|H<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2280	0.000	1	121.2280	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|B<4>,1|C<3>,1|N<4>,3|H<1>}	C[5,6a](C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH){3|C<3>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	119.4620	0.000	1	119.4620	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|O<2>,4|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.2505	0.182	2	119.5056	0.236	10	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|O<2>,4|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.1050	0.000	1	119.5056	0.236	10	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|O<2>,4|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.4563	0.256	6	119.5056	0.236	10	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7120	0.000	1	119.5056	0.236	10	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.1460	0.000	1	119.1460	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]B[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|B<3>,1|B<4>,1|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]B[5]HH){1|H<1>,2|C<4>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.7320	0.000	1	119.7320	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|B<3>,1|C<3>,1|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,2|C<4>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2590	0.000	1	120.2590	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|B<3>,1|C<3>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|O<2>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	121.0440	0.000	1	121.0440	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5350	0.000	1	120.6520	0.574	4	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|P<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1980	0.000	1	120.6520	0.574	4	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,5|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.1190	0.000	1	120.6520	0.574	4	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){2|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7560	0.000	1	120.6520	0.574	4	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	116.0660	0.000	1	119.4368	3.653	5	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.7990	0.000	1	119.4368	3.653	5	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2360	0.000	1	119.4368	3.653	5	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|Si<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6820	0.000	1	119.4368	3.653	5	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4010	0.000	1	119.4368	3.653	5	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2150	0.000	1	120.2150	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|H<1>,2|C<4>,3|F<1>}	H(C[6a]C[5,6a]C[6a])	118.4850	0.000	1	119.7831	0.240	10	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	119.8400	0.000	1	119.7831	0.240	10	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.1660	0.000	1	119.7831	0.240	10	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<2>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	120.0660	0.000	1	119.7831	0.240	10	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,2|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	119.9862	0.111	4	119.7831	0.240	10	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,2|C<3>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	119.6645	0.103	2	119.7831	0.240	10	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|Br<1>,1|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.0440	0.021	3	120.0440	0.000	3	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	121.2250	1.790	3	121.0528	2.255	4	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5360	0.000	1	121.0528	2.255	4	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<2>,1|H<1>,1|O<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3900	0.221	2	121.3900	0.049	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|O<1>,2|C<3>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	120.6080	0.000	1	120.6080	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[6a]C[5,6a]C[6a])	120.6490	0.000	1	120.7688	0.021	5	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	120.7987	0.147	4	120.7688	0.021	5	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0270	0.000	1	120.7833	0.165	3	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3140	0.000	1	120.7833	0.165	3	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|O<1>,1|O<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0090	0.000	1	120.7833	0.165	3	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]Ga[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|Ga<4>,1|C<3>,1|N<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]Ga[5])(C[6a]C[6a]H)(C[5]N[5]HH){2|Cl<1>,1|C<3>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	119.7600	0.000	1	119.7210	0.003	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]Ga[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|Ga<4>,1|C<3>,1|N<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]Ga[5])(C[6a]C[6a]H)(C[5]N[5]HH){3|C<3>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	119.6820	0.000	1	119.7210	0.003	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]Ge[5])(C[6a]C[6a]H)(C[5]O[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|Ge<4>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]Ge[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|Ge<4>,1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	119.8525	0.301	2	119.8525	0.090	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.0770	0.000	1	120.0770	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8765	0.196	2	120.3822	0.181	8	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5810	0.000	1	120.3822	0.181	8	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	120.0670	0.000	1	120.3822	0.181	8	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	119.7580	0.000	1	120.3822	0.181	8	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4760	0.054	2	120.3822	0.181	8	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9470	0.000	1	120.3822	0.181	8	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	120.2170	0.000	1	120.2170	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0285	0.013	2	120.0137	0.001	3	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9840	0.000	1	120.0137	0.001	3	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	119.9830	0.000	1	119.9830	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]FF)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]FF){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0315	0.009	2	120.0315	0.000	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8650	0.715	3	120.4354	0.432	7	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.7505	0.012	2	120.4354	0.432	7	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|S<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2850	0.000	1	120.4354	0.432	7	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6670	0.000	1	120.4354	0.432	7	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.8205	0.262	2	119.8205	0.069	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9120	0.000	1	120.2590	0.241	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|O<1>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	120.6060	0.000	1	120.2590	0.241	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2340	0.000	1	120.3137	0.325	4	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.6660	0.000	1	120.3137	0.325	4	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3000	0.000	1	120.3137	0.325	4	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0550	0.000	1	120.3137	0.325	4	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1104	0.407	5	119.9524	0.244	8	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.6890	0.597	3	119.9524	0.244	8	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9850	0.000	1	119.9850	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2370	0.000	1	120.2370	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|P<4>,3|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Ir<4>,1|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	119.6310	0.108	3	119.6370	0.076	8	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|P<4>,3|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Ir<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.1500	0.000	1	119.6370	0.076	8	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|P<4>,3|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Pd<4>,1|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	119.4180	0.000	1	119.6370	0.076	8	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|P<4>,3|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|Mo<9>,1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.6930	0.000	1	119.6370	0.076	8	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<4>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.9710	0.011	2	119.6370	0.076	8	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.8670	0.000	1	119.8670	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<2>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6100	0.000	1	120.6100	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,1|S<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	119.6730	0.000	1	119.6730	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|Si<4>,1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|Rh<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0350	0.000	1	120.0350	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]Ga[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|Ga<4>,1|C<3>,1|N<4>,3|H<1>}	C[5,6a](C[5,6a]Ga[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH){3|C<3>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	119.3632	0.870	4	119.3632	0.756	4	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]Ge[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|Ge<5>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]Ge[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){1|Fe<8>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	119.7510	0.086	2	119.5923	0.038	6	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]Ge[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|Ge<5>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]Ge[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){1|Ge<5>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	119.5130	0.187	4	119.5923	0.038	6	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]In[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|In<4>,1|C<3>,1|N<4>,3|H<1>}	C[5,6a](C[5,6a]In[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH){3|C<3>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	119.7640	0.000	1	119.7640	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[5])(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3740	0.000	1	120.3740	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[5])(H){1|N<2>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	120.1390	0.000	1	120.1390	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0980	0.000	1	121.0980	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Cl<1>,1|C<3>,1|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6890	0.000	1	121.2162	0.124	6	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|S<2>}	H(C[6a]C[5,6a]C[6a])	121.5680	0.000	1	121.2162	0.124	6	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Cl<1>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1870	0.000	1	121.2162	0.124	6	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Cl<1>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4450	0.000	1	121.2162	0.124	6	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4910	0.000	1	121.2162	0.124	6	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Cl<1>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9170	0.000	1	121.2162	0.124	6	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]OO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|N<3>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]OO){1|Cl<1>,1|Ni<6>,1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[5,6a]C[6a])	121.6190	0.000	1	121.6190	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){2|C<3>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HO){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	121.9310	0.000	1	121.9310	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|Cl<1>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2860	0.000	1	121.2860	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.8790	0.000	1	121.1075	0.104	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3360	0.000	1	121.1075	0.104	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|Cl<1>,1|C<4>,1|F<1>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1280	0.000	1	121.1280	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	121.0785	0.115	2	121.0647	0.007	3	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|Cl<1>,1|C<3>,1|C<4>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	121.0370	0.000	1	121.0647	0.007	3	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	121.1030	0.000	1	121.1030	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	121.2825	0.260	2	121.5770	0.340	4	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	121.8715	0.779	2	121.5770	0.340	4	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Al<4>,1|Cl<1>,1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8485	0.295	2	120.8485	0.087	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|Cl<1>,2|H<1>,2|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4395	0.182	2	121.4395	0.033	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	121.3500	0.196	4	121.3500	0.038	4	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN){2|Cl<1>,1|H<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4320	0.000	1	121.4320	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|B<3>,1|C<3>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|F<1>,1|H<1>,1|O<2>}	H(C[6a]C[5,6a]C[6a])	121.7428	0.109	6	121.7428	0.012	6	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|F<1>,1|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	124.7960	0.000	1	121.7323	5.371	6	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|F<1>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2640	0.000	1	121.7323	5.371	6	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|F<1>,1|H<1>,1|O<1>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	122.0310	0.000	1	121.7323	5.371	6	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|F<1>,1|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6175	3.772	2	121.7323	5.371	6	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	121.0680	0.000	1	121.7323	5.371	6	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|F<1>,1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	121.5320	0.000	1	121.5320	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|F<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5785	0.254	2	121.5785	0.064	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	121.5600	0.000	1	121.5255	0.002	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|F<1>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4910	0.000	1	121.5255	0.002	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	121.5775	0.011	2	122.0730	0.890	4	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|F<1>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	123.4870	0.000	1	122.0730	0.890	4	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|F<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.6500	0.000	1	122.0730	0.890	4	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|F<1>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5740	0.000	1	121.5740	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]OO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]OO){1|C<3>,1|F<1>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7685	0.128	2	121.7685	0.016	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]As[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|As<5>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]As[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2818	0.169	12	120.3605	0.037	21	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]As[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|As<5>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]As[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){1|I<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3490	0.000	1	120.3605	0.037	21	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]As[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|As<5>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]As[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){2|C<3>,2|H<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	120.4800	0.186	8	120.3605	0.037	21	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|N<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	120.4770	0.000	1	120.4770	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|N<4>,3|H<1>}	C[5,6a](C[5,6a]B[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	120.6475	0.235	6	120.6475	0.055	6	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]B[5,6a]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|N<4>,3|H<1>}	C[5,6a](C[5,6a]B[5,6a]C[6a])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	120.7967	0.173	3	120.7967	0.030	3	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3240	0.113	2	120.3240	0.013	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HP)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|P<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HP){1|C<3>,2|B<5>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4230	0.000	1	120.4230	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4490	0.161	6	120.5835	0.652	11	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,4|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9515	1.329	4	120.5835	0.652	11	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC){1|N<3>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9190	0.000	1	120.5835	0.652	11	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CH){1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6660	0.270	2	120.6603	0.037	3	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CH){1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6490	0.000	1	120.6603	0.037	3	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9225	0.257	2	120.4823	0.086	27	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7250	0.008	2	120.4823	0.086	27	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9925	0.063	2	120.4823	0.086	27	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,1|P<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5025	0.054	2	120.4823	0.086	27	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,1|P<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6673	0.059	3	120.4823	0.086	27	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5475	0.067	2	120.4823	0.086	27	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2876	0.234	7	120.4823	0.086	27	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3780	0.000	1	120.4823	0.086	27	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6695	0.292	2	120.4823	0.086	27	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4480	0.021	2	120.4823	0.086	27	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5400	0.000	1	120.4823	0.086	27	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4740	0.000	1	120.4823	0.086	27	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6630	0.000	1	120.6630	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]CH){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8730	0.000	1	120.8730	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6250	0.000	1	120.9896	0.170	13	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6090	0.000	1	120.9896	0.170	13	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CH){1|H<1>,1|O<2>,1|P<3>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8690	0.380	7	120.9896	0.170	13	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CH){1|H<1>,2|C<3>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	121.3270	0.030	3	120.9896	0.170	13	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CH){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5670	0.000	1	120.9896	0.170	13	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6310	0.536	2	120.5697	0.155	3	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]HH){1|H<1>,1|O<2>,1|P<3>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4470	0.000	1	120.5697	0.155	3	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]HO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]HO){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9263	0.123	6	120.9263	0.015	6	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<2>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4910	0.000	1	120.4680	0.006	4	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4603	0.093	3	120.4680	0.006	4	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9500	0.176	3	120.9500	0.031	3	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6130	0.112	2	120.7084	0.022	9	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6265	0.295	2	120.7084	0.022	9	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]HH){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7550	0.000	1	120.7084	0.022	9	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]HH){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7855	0.086	4	120.7084	0.022	9	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7070	0.023	2	120.6576	0.023	10	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7920	0.000	1	120.6576	0.023	10	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,2|H<1>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	120.4820	0.000	1	120.6576	0.023	10	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH){2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3870	0.000	1	120.6576	0.023	10	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH){2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5955	0.009	2	120.6576	0.023	10	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]CH){2|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7700	0.122	3	120.6576	0.023	10	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|N<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4710	0.000	1	120.7005	0.105	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|N<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]HH){2|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9300	0.000	1	120.7005	0.105	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]HN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]HN){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1370	0.000	1	120.7540	0.054	6	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]HN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]HN){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6040	0.000	1	120.7540	0.054	6	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]HN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]HN){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9180	0.000	1	120.7540	0.054	6	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]HN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]HN){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6217	0.099	3	120.7540	0.054	6	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8800	0.000	1	120.8800	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,2|H<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	118.3910	0.000	1	118.3910	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]P[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|P<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]P[5]HH){2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1160	0.000	1	120.1380	0.001	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]P[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|P<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]P[5]HH){2|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1600	0.000	1	120.1380	0.001	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<3>,1|C<4>,1|O<2>,7|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3590	0.000	1	120.3890	0.112	9	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<3>,1|C<4>,1|N<3>,7|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6133	0.467	3	120.3890	0.112	9	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<3>,3|C<4>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1565	0.337	2	120.3890	0.112	9	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H){2|C<4>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4220	0.158	2	120.3890	0.112	9	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,2|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1450	0.000	1	120.3890	0.112	9	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]BH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]BH){1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5390	0.000	1	120.3730	0.021	3	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]BH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]BH){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2700	0.000	1	120.3730	0.021	3	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]BH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]BH){1|C<3>,1|P<4>,1|S<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3100	0.000	1	120.3730	0.021	3	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0145	0.303	2	120.4933	0.083	24	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3920	0.000	1	120.4933	0.083	24	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5300	0.387	4	120.4933	0.083	24	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5200	0.000	1	120.4933	0.083	24	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3893	0.246	3	120.4933	0.083	24	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|O<2>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2185	0.060	2	120.4933	0.083	24	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4350	0.000	1	120.4933	0.083	24	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6640	0.000	1	120.4933	0.083	24	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8430	0.000	1	120.4933	0.083	24	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|O<2>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7980	0.058	2	120.4933	0.083	24	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4933	0.089	3	120.4933	0.083	24	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6080	0.074	2	120.4933	0.083	24	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9380	0.000	1	120.4933	0.083	24	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|O<2>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6690	0.000	1	120.7042	0.357	50	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|S<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9150	0.000	1	120.7042	0.357	50	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7450	0.000	1	120.7042	0.357	50	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4515	0.005	2	120.7042	0.357	50	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0430	0.180	2	120.7042	0.357	50	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1955	0.163	2	120.7042	0.357	50	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6540	0.048	2	120.7042	0.357	50	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	119.6670	0.000	1	120.7042	0.357	50	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|N<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6230	0.000	1	120.7042	0.357	50	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9620	0.000	1	120.7042	0.357	50	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4705	0.016	2	120.7042	0.357	50	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|O<2>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7130	0.000	1	120.7042	0.357	50	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|Pd<5>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0885	0.798	2	120.7042	0.357	50	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|Ru<5>,1|Ru<6>,1|C<3>,1|P<5>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4070	0.000	1	120.7042	0.357	50	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|S<2>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2880	0.094	3	120.7042	0.357	50	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8090	0.000	1	120.7042	0.357	50	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5100	0.000	1	120.7042	0.357	50	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|B<4>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7375	0.158	2	120.7042	0.357	50	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2660	0.000	1	120.7042	0.357	50	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5470	0.000	1	120.7042	0.357	50	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|O<1>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7330	0.059	2	120.7042	0.357	50	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5770	0.000	1	120.7042	0.357	50	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4850	0.000	1	120.7042	0.357	50	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7410	0.000	1	120.7042	0.357	50	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7323	0.112	3	120.7042	0.357	50	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7260	0.000	1	120.7042	0.357	50	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7850	0.000	1	120.7042	0.357	50	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8060	0.016	2	120.7042	0.357	50	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|N<2>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7470	0.000	1	120.7042	0.357	50	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|O<1>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8030	0.161	3	120.7042	0.357	50	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|O<2>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5960	0.000	1	120.7042	0.357	50	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	124.0020	0.000	1	120.7042	0.357	50	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6330	0.000	1	120.7042	0.357	50	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5620	0.000	1	120.7042	0.357	50	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6960	0.000	1	120.7042	0.357	50	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1360	0.000	1	120.7089	0.068	18	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|Ru<9>,1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4600	0.000	1	120.7089	0.068	18	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|N<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5430	0.000	1	120.7089	0.068	18	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|O<2>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7570	0.000	1	120.7089	0.068	18	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6045	0.069	2	120.7089	0.068	18	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|Ru<10>,1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3570	0.000	1	120.7089	0.068	18	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<4>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7090	0.000	1	120.7089	0.068	18	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0460	0.000	1	120.7089	0.068	18	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7590	0.000	1	120.7089	0.068	18	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5920	0.093	2	120.7089	0.068	18	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0345	0.227	2	120.7089	0.068	18	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8330	0.000	1	120.7089	0.068	18	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CO){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8993	0.153	3	120.7089	0.068	18	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CP)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CP){1|C<3>,1|P<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7630	0.000	1	120.7095	0.022	4	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CP)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CP){1|Pd<4>,1|C<3>,1|P<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7790	0.133	2	120.7095	0.022	4	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CP)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CP){1|C<3>,1|S<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5170	0.000	1	120.7095	0.022	4	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<2>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8140	0.000	1	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<1>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3160	0.000	1	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|I<1>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4940	0.000	1	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9340	0.000	1	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2520	0.000	2	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3102	0.332	6	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	119.8820	0.000	1	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0130	0.000	1	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<4>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4110	0.000	1	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Br<1>,1|C<3>,1|N<2>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3230	0.000	1	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|F<1>,1|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6340	0.000	1	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5537	0.126	3	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4788	0.398	8	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	118.5955	3.197	2	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5190	0.085	2	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5220	0.211	8	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<5>,1|O<2>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0240	0.000	1	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<6>,1|O<2>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5710	0.049	2	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|F<1>,1|N<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4295	0.315	2	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|I<1>,1|N<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9900	0.000	1	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4673	0.460	3	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0738	0.830	12	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0812	0.901	11	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<4>,1|P<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7160	0.824	2	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4430	0.222	2	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5560	0.000	1	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5074	0.151	5	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|S<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5435	0.021	2	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7933	2.229	6	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|N<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9040	0.000	1	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|O<2>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7110	0.000	1	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8487	0.877	4	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|I<1>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9330	0.894	2	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7420	0.000	1	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5370	0.045	2	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|O<3>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4080	0.000	1	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3543	0.531	4	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<2>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6750	0.048	2	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<3>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6145	0.156	6	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5825	0.100	2	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.1060	0.000	1	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Rh<5>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4760	0.000	1	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Ru<5>,1|Ru<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4135	0.228	4	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Ru<5>,1|Ru<6>,1|C<3>,1|P<5>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7900	0.000	1	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	118.0130	0.000	1	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3008	0.466	6	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4508	0.124	9	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<5>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Ru<5>,3|Ru<6>,1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5730	0.000	1	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<1>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5615	0.025	2	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5610	0.000	1	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|F<1>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7617	0.202	3	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5695	0.149	2	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7220	0.086	2	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6916	0.162	7	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	121.0840	0.000	1	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<2>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4570	0.081	4	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5760	0.000	1	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7226	0.343	5	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6935	0.361	2	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,1|P<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6760	0.000	2	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,1|S<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8110	0.000	1	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8307	0.069	4	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|F<1>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6120	0.000	1	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1180	0.000	1	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4890	0.000	1	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7680	0.000	1	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Se<2>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7350	0.066	2	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|Br<1>,1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7480	0.000	1	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5270	0.157	6	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3718	0.160	14	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1250	0.000	1	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<1>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4950	0.000	1	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3410	0.000	1	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0890	0.000	1	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|B<3>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6540	0.000	1	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4613	0.268	3	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6939	0.456	15	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<6>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4360	0.000	1	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.8780	0.000	1	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,1|P<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2753	0.319	7	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	118.5770	0.000	1	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<4>,1|P<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3122	0.363	14	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,1|P<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3432	0.281	6	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|P<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.0323	5.252	3	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|P<4>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5045	0.223	2	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|P<4>,1|S<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7893	0.405	3	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|P<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3173	1.373	4	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|S<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8520	0.000	1	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4040	0.000	1	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|H<1>,2|P<4>}	H(C[6a]C[5,6a]C[6a])	120.7220	0.000	1	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	122.9920	0.000	1	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2870	0.393	7	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9200	0.000	1	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	119.4900	0.000	1	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6533	0.013	3	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5442	0.541	35	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8930	0.000	1	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|P<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6560	0.000	1	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|P<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9610	0.000	1	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Ru<5>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2580	0.000	1	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Ru<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3818	0.310	5	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6790	0.307	8	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	117.1250	0.000	1	120.4491	0.599	338	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|I<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3200	0.245	2	120.5549	1.287	34	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<4>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1910	0.000	1	120.5549	1.287	34	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|Br<1>,1|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4830	0.000	1	120.5549	1.287	34	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|O<2>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8567	0.205	3	120.5549	1.287	34	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8250	0.000	1	120.5549	1.287	34	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|F<1>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0360	0.000	1	120.5549	1.287	34	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|I<1>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	117.9420	0.000	1	120.5549	1.287	34	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|O<2>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7805	1.495	10	120.5549	1.287	34	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	119.4072	1.525	4	120.5549	1.287	34	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|O<2>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8335	0.180	2	120.5549	1.287	34	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6520	0.204	2	120.5549	1.287	34	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){2|C<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8280	0.000	1	120.5549	1.287	34	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|O<1>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6400	0.000	1	120.5549	1.287	34	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9300	0.000	1	120.5549	1.287	34	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7830	0.126	2	120.5549	1.287	34	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8100	0.000	1	120.5549	1.287	34	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|N<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3200	0.000	1	120.5996	0.275	40	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|B<3>,1|C<3>,1|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	118.4700	0.000	1	120.5996	0.275	40	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|C<4>,1|F<1>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3910	0.000	1	120.5996	0.275	40	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6303	0.145	3	120.5996	0.275	40	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7398	0.084	4	120.5996	0.275	40	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|N<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3090	0.000	2	120.5996	0.275	40	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|O<2>,1|S<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5325	0.011	2	120.5996	0.275	40	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|O<2>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0370	0.000	1	120.5996	0.275	40	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7310	0.000	1	120.5996	0.275	40	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5890	0.000	1	120.5996	0.275	40	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<4>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7938	0.131	6	120.5996	0.275	40	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|N<3>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9235	0.138	2	120.5996	0.275	40	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){2|Br<1>,1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6310	0.000	1	120.5996	0.275	40	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2620	0.000	1	120.5996	0.275	40	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	119.6155	1.447	2	120.5996	0.275	40	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6350	0.000	1	120.5996	0.275	40	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6940	0.000	1	120.5996	0.275	40	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8150	0.000	1	120.5996	0.275	40	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0010	0.000	1	120.5996	0.275	40	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7670	0.007	2	120.5996	0.275	40	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8430	0.203	3	120.5996	0.275	40	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9850	0.017	2	120.5996	0.275	40	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP){1|C<3>,1|O<2>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5290	0.000	2	120.7325	0.040	13	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|P<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP){1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6013	0.122	3	120.7325	0.040	13	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|P<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP){1|C<3>,1|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7175	0.078	4	120.7325	0.040	13	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|P<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP){1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7270	0.000	1	120.7325	0.040	13	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|P<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9120	0.000	1	120.7325	0.040	13	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|P<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1970	0.000	1	120.7325	0.040	13	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|P<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HP){1|Pd<4>,1|C<3>,1|P<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9540	0.000	1	120.7325	0.040	13	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HS)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HS){1|C<4>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5267	0.194	3	120.6467	0.070	7	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HS)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|S<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HS){1|C<3>,2|O<2>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5000	0.000	1	120.6467	0.070	7	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HS)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HS){1|C<3>,1|O<1>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1660	0.000	1	120.6467	0.070	7	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HS)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HS){1|S<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6405	0.108	2	120.6467	0.070	7	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6557	0.195	8	120.4790	1.059	25	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	118.8978	1.920	4	120.4790	1.059	25	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,1|P<4>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8900	0.190	3	120.4790	1.059	25	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<4>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6240	0.256	2	120.4790	1.059	25	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4380	0.000	1	120.4790	1.059	25	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2970	0.000	1	120.4790	1.059	25	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,1|O<1>,1|S<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1970	0.000	1	120.4790	1.059	25	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,1|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1200	0.000	1	120.4790	1.059	25	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7918	0.541	4	120.4790	1.059	25	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CF)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|F<1>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CF){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3740	0.000	1	121.3740	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9660	0.000	1	120.9413	0.227	40	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7160	0.000	1	120.9413	0.227	40	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3400	0.000	1	120.9413	0.227	40	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|C<4>,1|S<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1170	2.184	2	120.9413	0.227	40	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8335	0.199	2	120.9413	0.227	40	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7495	0.108	2	120.9413	0.227	40	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|S<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6200	0.000	1	120.9413	0.227	40	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<4>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|B<4>,1|C<3>,1|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8110	0.000	1	120.9413	0.227	40	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<4>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2560	0.000	1	120.9413	0.227	40	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8700	0.419	2	120.9413	0.227	40	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0200	0.239	3	120.9413	0.227	40	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9838	0.052	4	120.9413	0.227	40	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2210	0.165	2	120.9413	0.227	40	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|O<1>,1|S<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0020	0.014	2	120.9413	0.227	40	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2065	0.289	4	120.9413	0.227	40	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1369	0.257	7	120.9413	0.227	40	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8085	0.022	2	120.9413	0.227	40	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9800	0.049	2	120.9413	0.227	40	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CN){1|Zn<4>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9955	0.097	2	120.9623	0.008	3	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CN){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8960	0.000	1	120.9623	0.008	3	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO){1|C<3>,1|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3930	0.000	1	120.8376	0.400	19	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4620	0.000	1	120.8376	0.400	19	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8928	0.842	9	120.8376	0.400	19	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4935	0.667	2	120.8376	0.400	19	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0220	0.000	1	120.8376	0.400	19	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7590	0.296	2	120.8376	0.400	19	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0045	0.244	2	120.8376	0.400	19	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CO){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6a]C[5,6a]C[6a])	120.4890	0.000	1	120.8376	0.400	19	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]FF)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]FF){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6330	0.000	1	121.6330	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9410	0.000	1	120.9148	0.083	89	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6580	0.000	1	120.9148	0.083	89	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5982	0.105	5	120.9148	0.083	89	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6285	0.170	2	120.9148	0.083	89	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|B<4>,1|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8870	0.000	1	120.9148	0.083	89	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4990	0.000	1	120.9148	0.083	89	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|Ru<6>,1|C<3>,1|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0730	0.175	2	120.9148	0.083	89	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|Si<4>,1|B<4>,1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6865	0.043	2	120.9148	0.083	89	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,1|S<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5131	0.210	8	120.9148	0.083	89	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7340	0.000	1	120.9148	0.083	89	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|S<4>}	H(C[6a]C[5,6a]C[6a])	121.1210	0.000	1	120.9148	0.083	89	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8805	0.378	2	120.9148	0.083	89	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0918	0.234	20	120.9148	0.083	89	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9810	0.000	1	120.9148	0.083	89	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6380	0.000	1	120.9148	0.083	89	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,1|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1430	0.000	1	120.9148	0.083	89	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2270	0.000	1	120.9148	0.083	89	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8925	0.088	2	120.9148	0.083	89	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9689	0.154	8	120.9148	0.083	89	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9535	0.281	27	120.9148	0.083	89	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|Pd<4>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8410	0.000	1	120.9148	0.083	89	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0560	0.000	1	121.1150	0.016	3	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HN){1|Fe<5>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0270	0.000	1	121.1150	0.016	3	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HN){1|Zn<5>,1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2620	0.000	1	121.1150	0.016	3	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HO){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7860	0.000	1	121.0395	0.102	13	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HO){1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8815	0.165	2	121.0395	0.102	13	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1895	0.081	6	121.0395	0.102	13	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HO){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9570	0.543	4	121.0395	0.102	13	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]NN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]NN){1|Cd<6>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3500	0.017	2	121.2479	0.019	8	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]NN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]NN){1|Cd<6>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1895	0.309	2	121.2479	0.019	8	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]NN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]NN){1|Co<6>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1930	0.017	2	121.2479	0.019	8	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]NN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]NN){1|Fe<6>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2590	0.031	2	121.2479	0.019	8	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]NO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]NO){1|Co<6>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5450	0.000	2	121.2572	0.114	4	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]NO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]NO){1|Ni<4>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9695	0.108	2	121.2572	0.114	4	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.8635	0.634	2	120.7417	0.344	11	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9100	0.451	5	120.7417	0.344	11	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8280	0.000	1	120.7417	0.344	11	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2005	0.326	2	120.7417	0.344	11	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6530	0.000	1	120.7417	0.344	11	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1280	0.058	2	120.9447	0.366	15	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|P<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7260	0.000	1	120.9447	0.366	15	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.6120	0.298	2	120.9447	0.366	15	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4420	0.000	1	120.9447	0.366	15	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5340	0.000	1	120.9447	0.366	15	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	121.4120	0.000	1	120.9447	0.366	15	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1683	0.269	3	120.9447	0.366	15	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2678	0.072	4	120.9447	0.366	15	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CO){1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2680	0.000	1	121.1538	0.100	6	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CO){1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0240	0.000	1	121.1538	0.100	6	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CO){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7870	0.000	1	121.1538	0.100	6	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CO){1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4890	0.174	2	121.1538	0.100	6	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CO){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8660	0.000	1	121.1538	0.100	6	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,1|S<6>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9590	0.000	1	120.6476	0.676	17	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9960	0.000	1	120.6476	0.676	17	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9300	0.000	1	120.6476	0.676	17	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|P<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6280	0.000	1	120.6476	0.676	17	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	119.6550	0.194	2	120.6476	0.676	17	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5010	0.000	1	120.6476	0.676	17	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2870	0.000	1	120.6476	0.676	17	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0180	0.000	1	120.6476	0.676	17	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4880	0.000	1	120.6476	0.676	17	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9237	1.419	3	120.6476	0.676	17	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9880	0.000	1	120.6476	0.676	17	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|Ir<4>,1|C<3>,1|H<1>,1|P<4>}	H(C[6a]C[5,6a]C[6a])	121.3720	0.000	1	120.6476	0.676	17	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9390	0.000	1	120.6476	0.676	17	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8220	0.000	1	120.6476	0.676	17	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HN){1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7880	0.000	1	121.2986	0.188	36	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HN){1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2847	0.432	35	121.2986	0.188	36	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HO){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0500	0.000	1	121.2340	0.018	6	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HO){1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2708	0.109	5	121.2340	0.018	6	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HP)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,1|P<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HP){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8880	0.000	1	120.8880	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]P[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]P[5]HH){1|Fe<4>,1|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9345	0.217	2	119.9345	0.047	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|S<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]CH){1|C<3>,1|O<1>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3310	0.000	1	120.8740	0.418	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]CH){1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4170	0.000	1	120.8740	0.418	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]FH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|S<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]FH){1|C<3>,2|O<1>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0320	0.000	1	121.0320	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]HH){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1040	0.000	1	120.4594	0.066	7	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]HH){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6030	0.000	1	120.4594	0.066	7	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]HH){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4670	0.000	1	120.4594	0.066	7	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]HH){1|C<3>,1|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3980	0.344	2	120.4594	0.066	7	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]HH){1|C<3>,1|F<1>,2|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8120	0.000	1	120.4594	0.066	7	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]HH){2|C<3>,2|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4340	0.000	1	120.4594	0.066	7	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]HS)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<2>,1|S<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]S[5]HS){1|C<3>,1|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9530	0.000	1	120.9530	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|I<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3620	0.000	1	120.1423	0.338	8	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|I<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|F<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0143	0.203	4	120.1423	0.338	8	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|I<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.5610	0.000	1	120.1423	0.338	8	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|I<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]CC){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.6660	0.000	1	120.1423	0.338	8	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|I<5>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,2|H<1>,3|F<1>}	H(C[6a]C[5,6a]C[6a])	120.4920	0.000	1	120.1423	0.338	8	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]B[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]B[5]HH){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9150	0.109	2	119.9313	0.004	4	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]B[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|N<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]B[5]HH){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9480	0.000	1	119.9313	0.004	4	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]B[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|N<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]B[5]HH){2|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	119.9470	0.000	1	119.9313	0.004	4	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3050	0.000	1	120.4991	0.039	20	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|S<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3780	0.000	1	120.4991	0.039	20	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3880	0.000	1	120.4991	0.039	20	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5000	0.300	2	120.4991	0.039	20	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5520	0.000	1	120.4991	0.039	20	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3450	0.000	1	120.4991	0.039	20	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6470	0.000	1	120.4991	0.039	20	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1640	0.000	1	120.4991	0.039	20	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7010	0.000	1	120.4991	0.039	20	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7840	0.000	1	120.4991	0.039	20	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6182	0.217	4	120.4991	0.039	20	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2300	0.000	1	120.4991	0.039	20	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5327	0.109	3	120.4991	0.039	20	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2C){2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4160	0.000	1	120.4991	0.039	20	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2F)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2F){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1380	0.000	1	120.9575	0.065	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2F)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2F){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7770	0.000	1	120.9575	0.065	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4820	0.127	4	120.1036	1.840	24	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,4|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5415	0.127	2	120.1036	1.840	24	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6390	0.000	1	120.1036	1.840	24	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|H<1>,1|O<1>,2|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1610	0.000	2	120.1036	1.840	24	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9230	0.000	1	120.1036	1.840	24	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8010	0.000	1	120.1036	1.840	24	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6565	0.114	2	120.1036	1.840	24	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2630	0.000	1	120.1036	1.840	24	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5830	0.000	1	120.1036	1.840	24	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,1|S<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	115.7960	0.963	2	120.1036	1.840	24	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2470	0.000	1	120.1036	1.840	24	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5610	0.000	1	120.1036	1.840	24	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2390	0.000	1	120.1036	1.840	24	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6200	0.000	1	120.1036	1.840	24	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|O<1>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5570	0.000	1	120.1036	1.840	24	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){2|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3150	0.000	1	120.1036	1.840	24	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2H){2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5010	0.000	1	120.1036	1.840	24	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|C<4>,1|F<1>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2470	0.000	1	120.6815	0.057	11	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7700	0.035	2	120.6815	0.057	11	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4060	0.000	1	120.6815	0.057	11	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6000	0.267	2	120.6815	0.057	11	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7240	0.000	1	120.6815	0.057	11	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8460	0.021	2	120.6815	0.057	11	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6290	0.000	1	120.6815	0.057	11	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2N){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0590	0.000	1	120.6815	0.057	11	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|C<3>,1|F<1>,1|O<1>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1760	0.000	1	120.4514	0.352	20	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|C<4>,1|F<1>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9930	0.000	1	120.4514	0.352	20	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7600	0.270	2	120.4514	0.352	20	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|C<4>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7775	0.064	2	120.4514	0.352	20	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.8945	0.814	4	120.4514	0.352	20	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7930	0.000	1	120.4514	0.352	20	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8140	0.000	1	120.4514	0.352	20	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6660	0.000	1	120.4514	0.352	20	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7985	0.033	2	120.4514	0.352	20	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4330	0.147	2	120.4514	0.352	20	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|O<1>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	119.0640	0.000	1	120.4514	0.352	20	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|O<1>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7610	0.000	1	120.4514	0.352	20	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6450	0.000	1	120.4514	0.352	20	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2S)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]2S){1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8650	0.000	1	120.8650	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2660	0.165	2	120.6700	0.191	186	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8620	0.000	1	120.6700	0.191	186	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|B<3>,1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4600	0.000	1	120.6700	0.191	186	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|B<3>,1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5760	0.000	1	120.6700	0.191	186	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3575	0.301	2	120.6700	0.191	186	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4500	0.000	1	120.6700	0.191	186	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5710	0.080	3	120.6700	0.191	186	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7040	0.000	1	120.6700	0.191	186	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<4>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5450	0.000	1	120.6700	0.191	186	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8390	0.000	1	120.6700	0.191	186	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9080	0.000	1	120.6700	0.191	186	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7373	0.143	12	120.6700	0.191	186	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	121.0930	0.000	1	120.6700	0.191	186	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|O<1>,1|S<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6310	0.000	2	120.6700	0.191	186	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4060	0.000	1	120.6700	0.191	186	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6533	0.170	3	120.6700	0.191	186	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2509	1.182	8	120.6700	0.191	186	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Cl<1>,1|H<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6750	0.000	1	120.6700	0.191	186	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7669	0.143	9	120.6700	0.191	186	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4449	0.582	23	120.6700	0.191	186	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6290	0.000	1	120.6700	0.191	186	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5480	0.331	3	120.6700	0.191	186	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|S<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5340	0.000	1	120.6700	0.191	186	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8898	0.182	6	120.6700	0.191	186	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8055	0.305	67	120.6700	0.191	186	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	121.0670	0.000	1	120.6700	0.191	186	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3688	0.331	13	120.6700	0.191	186	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|Pd<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7143	0.244	9	120.6700	0.191	186	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7340	0.170	7	120.6700	0.191	186	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6145	0.218	2	120.6700	0.191	186	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	122.1580	0.000	1	120.6700	0.191	186	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1320	0.000	1	120.9394	0.095	11	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9420	0.330	9	120.9394	0.095	11	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CF){1|C<3>,1|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7230	0.000	1	120.9394	0.095	11	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|B<3>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2650	0.000	1	120.5277	0.072	33	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|S<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2550	0.000	1	120.5277	0.072	33	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|S<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3432	0.358	6	120.5277	0.072	33	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8070	0.000	1	120.5277	0.072	33	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2155	0.271	2	120.5277	0.072	33	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6958	0.089	4	120.5277	0.072	33	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6170	0.098	5	120.5277	0.072	33	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5393	0.138	3	120.5277	0.072	33	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5140	0.149	3	120.5277	0.072	33	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4810	0.000	1	120.5277	0.072	33	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5584	0.191	5	120.5277	0.072	33	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2960	0.000	1	120.5277	0.072	33	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5497	0.297	3	120.6347	0.076	40	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3280	0.000	1	120.6347	0.076	40	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6790	0.344	2	120.6347	0.076	40	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8960	0.000	1	120.6347	0.076	40	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	120.2650	0.000	1	120.6347	0.076	40	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	120.6470	0.096	2	120.6347	0.076	40	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7016	0.207	18	120.6347	0.076	40	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5248	0.512	6	120.6347	0.076	40	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	120.5760	0.000	1	120.6347	0.076	40	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7890	0.103	2	120.6347	0.076	40	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<2>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6390	0.000	1	120.6347	0.076	40	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3730	0.000	1	120.6347	0.076	40	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6550	0.000	1	120.6347	0.076	40	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9680	0.349	2	120.7749	0.371	81	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6930	0.000	1	120.7749	0.371	81	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6460	0.233	2	120.7749	0.371	81	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0790	0.000	1	120.7749	0.371	81	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	121.0440	0.000	1	120.7749	0.371	81	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	120.8105	0.258	2	120.7749	0.371	81	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8590	0.000	1	120.7749	0.371	81	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7717	0.676	28	120.7749	0.371	81	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|I<1>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7795	0.022	2	120.7749	0.371	81	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|N<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5890	0.000	1	120.7749	0.371	81	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|O<1>,1|S<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	124.4300	0.000	1	120.7749	0.371	81	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6878	0.189	25	120.7749	0.371	81	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8633	0.706	3	120.7749	0.371	81	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9310	0.000	1	120.7749	0.371	81	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1620	0.000	1	120.7749	0.371	81	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<2>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5090	0.000	1	120.7749	0.371	81	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2070	0.000	1	120.7749	0.371	81	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3590	0.000	1	120.7749	0.371	81	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|F<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4265	0.067	2	120.7749	0.371	81	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7747	0.258	3	120.7749	0.371	81	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9240	0.000	1	120.7749	0.371	81	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CS)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CS){1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9810	0.000	1	120.6822	0.054	4	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CS)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CS){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5035	0.067	2	120.6822	0.054	4	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CS)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CS){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7410	0.000	1	120.6822	0.054	4	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]FF)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]FF){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8460	0.000	1	120.8460	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5710	0.037	2	120.3867	0.495	129	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3068	0.268	5	120.3867	0.495	129	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5300	0.207	5	120.3867	0.495	129	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	119.6948	0.857	10	120.3867	0.495	129	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<2>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1683	0.401	3	120.3867	0.495	129	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6017	0.361	3	120.3867	0.495	129	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|P<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	119.6635	0.862	2	120.3867	0.495	129	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5345	0.207	4	120.3867	0.495	129	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0226	0.871	13	120.3867	0.495	129	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Ir<8>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6470	0.000	1	120.3867	0.495	129	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4670	0.000	1	120.3867	0.495	129	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Rh<8>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7477	0.189	3	120.3867	0.495	129	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|S<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5470	0.000	1	120.3867	0.495	129	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|S<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3535	0.127	4	120.3867	0.495	129	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8010	0.260	12	120.3867	0.495	129	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3213	0.497	17	120.3867	0.495	129	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5217	0.193	9	120.3867	0.495	129	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|B<4>,1|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7460	0.000	1	120.3867	0.495	129	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Pd<4>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9910	0.000	1	120.3867	0.495	129	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Re<5>,1|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5000	0.000	1	120.3867	0.495	129	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|S<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	119.8770	0.000	1	120.3867	0.495	129	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1870	0.000	1	120.3867	0.495	129	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4165	2.717	4	120.3867	0.495	129	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0660	0.000	1	120.3867	0.495	129	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|B<4>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7250	0.000	1	120.3867	0.495	129	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4420	0.000	1	120.3867	0.495	129	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5089	0.125	16	120.3867	0.495	129	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2808	0.643	5	120.3867	0.495	129	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Ru<9>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7040	0.000	1	120.3867	0.495	129	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5390	0.000	1	120.5571	0.031	7	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|N<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|O<2>,1|S<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6225	0.398	2	120.5571	0.031	7	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5690	0.000	1	120.5571	0.031	7	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|S<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4390	0.000	1	120.5571	0.031	7	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5050	0.000	1	120.5571	0.031	7	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|S<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6030	0.000	1	120.5571	0.031	7	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5710	0.202	3	120.4871	0.024	15	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|S<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3363	0.096	3	120.4871	0.024	15	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5380	0.018	2	120.4871	0.024	15	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5750	0.000	1	120.4871	0.024	15	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2260	0.000	1	120.4871	0.024	15	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5490	0.103	3	120.4871	0.024	15	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4090	0.000	1	120.4871	0.024	15	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|S<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6510	0.000	1	120.4871	0.024	15	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HP)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HP){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6100	0.000	1	120.6100	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HS)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|S<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HS){1|C<3>,1|S<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5040	0.000	1	120.6600	0.049	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HS)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HS){1|C<3>,1|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8160	0.000	1	120.6600	0.049	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]NN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,3|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]NN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4300	0.000	1	120.5250	0.018	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]NN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|C<3>,3|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]NN){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6200	0.000	1	120.5250	0.018	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]NP)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]NP){1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5700	0.000	1	120.5700	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]NS)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]NS){1|C<3>,1|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9510	0.000	2	120.9510	0.000	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]SS)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|S<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]SS){1|C<3>,1|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3700	0.000	1	120.3700	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]O[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9410	0.000	1	120.9410	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5460	0.101	4	120.5612	0.009	5	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|Cl<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6220	0.000	1	120.5612	0.009	5	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4590	0.000	1	120.7764	0.050	10	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4730	0.000	1	120.7764	0.050	10	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9277	0.021	3	120.7764	0.050	10	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8098	0.214	5	120.7764	0.050	10	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4660	0.000	1	120.8248	0.198	18	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,2|H<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	122.3850	0.000	1	120.8248	0.198	18	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8543	0.336	3	120.8248	0.198	18	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7263	0.251	7	120.8248	0.198	18	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6453	0.101	3	120.8248	0.198	18	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8140	0.000	1	120.8248	0.198	18	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7990	0.072	2	120.8248	0.198	18	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CO){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9290	0.000	1	120.9290	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CS)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CS){1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1660	0.000	2	121.1660	0.000	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2420	0.000	1	120.9158	0.166	65	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9830	0.000	1	120.9158	0.166	65	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	120.7499	0.415	11	120.9158	0.166	65	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|H<1>,1|O<3>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	120.9223	0.121	3	120.9158	0.166	65	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1735	0.124	4	120.9158	0.166	65	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.3320	0.000	1	120.9158	0.166	65	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Ba<10>,1|C<3>,1|H<1>,1|O<3>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	121.2791	0.185	10	120.9158	0.166	65	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Ba<8>,1|C<3>,1|H<1>,1|O<3>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	120.9516	0.222	25	120.9158	0.166	65	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Mg<5>,1|C<3>,1|H<1>,1|O<3>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	121.1770	0.000	1	120.9158	0.166	65	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Mg<5>,1|C<3>,1|H<1>,1|O<4>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	120.7700	0.000	1	120.9158	0.166	65	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Mg<6>,1|C<3>,1|H<1>,1|O<3>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	121.0130	0.024	3	120.9158	0.166	65	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|Sr<8>,1|C<3>,1|H<1>,1|O<3>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	120.9237	0.116	4	120.9158	0.166	65	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9230	0.000	1	120.7735	0.045	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HN){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6240	0.000	1	120.7735	0.045	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9470	0.000	1	120.8277	0.017	6	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6730	0.000	1	120.8277	0.017	6	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9430	0.000	1	120.8277	0.017	6	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8490	0.127	2	120.8277	0.017	6	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HO){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7050	0.000	1	120.8277	0.017	6	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|B<4>,1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4520	0.000	1	120.1907	0.067	4	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<1>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9740	0.091	2	120.1907	0.067	4	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|P<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|S<1>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3630	0.000	1	120.1907	0.067	4	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|P<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|Cl<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5580	0.000	1	120.4518	0.024	5	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|P<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3500	0.000	1	120.4518	0.024	5	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|P<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]HH){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4170	0.000	1	120.4518	0.024	5	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|P<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2770	0.000	1	120.4518	0.024	5	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|P<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]HH){2|Pd<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6570	0.000	1	120.4518	0.024	5	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]O[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,1|P<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	117.0560	0.000	1	119.5360	4.687	3	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]O[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,1|P<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]O[5]CC){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7760	0.386	2	119.5360	4.687	3	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,1|P<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|B<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1795	1.001	2	121.1795	1.001	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]2C)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]2C){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1870	0.000	1	120.1870	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0853	0.143	3	120.0853	0.020	3	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0310	0.000	1	120.3835	0.249	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7360	0.000	1	120.3835	0.249	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,2|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0440	0.000	1	120.6800	0.122	7	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,2|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	120.8560	0.000	1	120.6800	0.122	7	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,2|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0050	0.000	1	120.6800	0.122	7	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	120.5790	0.000	1	120.6800	0.122	7	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,2|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8730	0.057	2	120.6800	0.122	7	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|Cl<1>,1|C<3>,1|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	120.5300	0.000	1	120.6800	0.122	7	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|S<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,2|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	120.9660	0.000	1	121.0983	0.387	6	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|S<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|S<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5220	0.000	1	121.0983	0.387	6	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|S<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,1|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	122.1520	0.000	1	121.0983	0.387	6	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|S<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|C<3>,2|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6500	0.113	3	121.0983	0.387	6	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CO){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	120.9370	0.000	1	120.9370	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]HN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|S<4>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]HN){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	120.6626	0.339	7	120.6626	0.115	7	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]HO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,1|S<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]HO){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	120.9870	0.000	1	120.9870	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]HS)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|S<2>,1|S<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]HS){1|C<2>,1|C<3>,2|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	121.4280	0.000	1	120.7349	0.093	10	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]HS)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|S<2>,1|S<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]HS){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	120.6579	0.195	9	120.7349	0.093	10	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]O[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,1|S<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3755	0.033	2	120.3755	0.001	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]O[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0915	0.672	2	120.0915	0.452	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9845	0.245	2	119.9845	0.060	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]O[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6435	0.039	2	120.5840	0.025	6	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]O[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|Si<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5542	0.192	4	120.5840	0.025	6	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3420	0.000	1	121.3420	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HO){1|H<1>,1|O<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	122.9775	0.070	2	122.9775	0.005	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4650	0.133	3	120.8676	0.071	33	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9079	0.243	30	120.8676	0.071	33	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]P[4,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,1|P<5>,2|C<4>}	C[5,6a](C[5,6a]P[4,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9582	0.149	4	120.9582	0.022	4	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,1|P<5>,2|C<4>}	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8920	0.000	1	120.6877	0.056	27	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,1|P<5>,2|C<4>}	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6874	0.344	5	120.6877	0.056	27	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,1|P<5>,2|C<4>}	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7054	0.233	16	120.6877	0.056	27	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,1|P<6>,2|C<4>}	C[5,6a](C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){1|O<2>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5902	0.133	5	120.6877	0.056	27	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]S[4,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]S[4,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2110	0.008	2	120.3020	0.025	3	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]S[4,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,1|S<5>,2|C<4>}	C[5,6a](C[5,6a]S[4,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4840	0.000	1	120.3020	0.025	3	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]Se[4,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Se<4>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]Se[4,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.5780	0.000	1	119.5780	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0910	0.006	2	120.7792	0.144	4	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<5>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]Si[5,5]C[6a])(C[6a]C[6a]H)(C[5]O[5]CC){1|Si<5>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4675	0.209	2	120.7792	0.144	4	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|I<1>,1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9605	0.084	2	121.1900	0.061	5	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|I<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4860	0.000	1	121.1900	0.061	5	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,1|I<1>,1|O<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2715	0.175	2	121.1900	0.061	5	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|C<4>,1|H<1>,1|I<1>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	120.8280	0.160	2	120.8983	0.015	4	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,1|H<1>,1|I<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9685	0.035	2	120.8983	0.015	4	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CN){1|C<3>,1|C<4>,1|H<1>,1|I<1>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	121.1020	0.000	1	121.1020	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|H<1>,1|I<1>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	118.7800	0.000	1	120.1575	3.795	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,1|I<1>,1|O<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.5350	0.000	1	120.1575	3.795	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|O<2>,4|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3848	0.443	6	120.3848	0.196	6	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3235	0.093	2	120.6450	0.100	6	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){2|C<3>,2|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8058	0.247	4	120.6450	0.100	6	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2130	0.000	1	121.2130	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9410	0.000	1	120.1365	0.076	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3320	0.000	1	120.1365	0.076	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HN){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2790	0.000	1	121.2790	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|N<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5830	0.000	2	121.5830	0.000	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	121.9730	0.000	1	121.5920	0.290	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]CC){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2110	0.000	1	121.5920	0.290	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|O<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	120.9470	0.000	1	120.9470	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4970	0.000	1	121.4450	0.005	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3930	0.000	1	121.4450	0.005	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4090	0.000	1	121.4090	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]FF)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]FF){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8775	0.053	2	121.8775	0.003	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3000	0.000	1	121.3000	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2990	0.000	1	121.4500	0.046	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|O<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6a]C[5,6a]C[6a])	121.6010	0.000	1	121.4500	0.046	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5])(H){2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1123	0.167	3	120.1123	0.028	3	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	120.2120	0.000	1	120.2120	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1710	0.000	1	120.4545	0.161	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	120.7380	0.000	1	120.4545	0.161	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	120.5810	0.000	1	120.5810	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3270	0.000	1	120.3510	0.001	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]2H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3750	0.000	1	120.3510	0.001	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,2|O<2>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5650	0.000	1	120.5650	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0590	0.205	2	120.6184	0.223	8	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5140	0.000	1	120.6184	0.223	8	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|O<2>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5610	0.000	1	120.6184	0.223	8	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5010	0.000	1	120.6184	0.223	8	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8130	0.000	1	120.6184	0.223	8	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9960	0.000	1	120.6184	0.223	8	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]CH){2|H<1>,2|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4440	0.000	1	120.6184	0.223	8	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3170	0.000	1	120.6875	0.332	31	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3610	0.000	1	120.6875	0.332	31	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2010	0.431	2	120.6875	0.332	31	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5765	0.125	2	120.6875	0.332	31	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<2>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7920	0.000	1	120.6875	0.332	31	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|N<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9400	0.000	1	120.6875	0.332	31	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6270	0.122	2	120.6875	0.332	31	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6438	0.231	5	120.6875	0.332	31	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|S<2>}	H(C[6a]C[5,6a]C[6a])	120.2440	0.293	2	120.6875	0.332	31	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	120.8850	0.000	1	120.6875	0.332	31	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	120.8570	0.000	1	120.6875	0.332	31	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7920	0.288	2	120.6875	0.332	31	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	121.8237	1.289	3	120.6875	0.332	31	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5135	0.394	4	120.6875	0.332	31	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,1|O<2>,1|S<4>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7830	0.000	1	120.6875	0.332	31	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5510	0.000	1	120.6875	0.332	31	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2010	0.000	1	120.6875	0.332	31	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	120.5270	0.257	2	120.9009	0.162	9	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1107	0.292	6	120.9009	0.162	9	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3900	0.000	1	120.9009	0.162	9	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8930	0.000	1	120.8930	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){2|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CC){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(C[6a]C[5,6a]C[6a])	120.9922	0.162	4	120.9922	0.026	4	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|O<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	121.1160	0.000	1	121.3085	0.074	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]CH){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(C[6a]C[5,6a]C[6a])	121.5010	0.000	1	121.3085	0.074	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9390	0.000	1	121.4124	0.095	5	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(C[6a]C[5,6a]C[6a])	121.4380	0.045	2	121.4124	0.095	5	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|O<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	121.6235	0.255	2	121.4124	0.095	5	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|H<1>,1|O<1>,1|O<2>,1|S<4>}	H(C[6a]C[5,6a]C[6a])	120.6550	0.000	1	120.6550	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6a]C[5,6a]C[6a])	120.1480	2.953	3	120.4928	4.593	5	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1470	0.000	1	120.4928	4.593	5	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]CO){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8730	0.000	1	120.4928	4.593	5	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]FF)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]FF){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1910	0.000	1	121.1910	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,1|S<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6907	0.111	3	120.6907	0.012	3	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HO){1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7390	0.000	1	120.7390	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CC){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(C[6a]C[5,6a]C[6a])	120.8610	0.000	1	120.8610	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3770	0.000	1	120.6540	0.153	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]CH){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9310	0.000	1	120.6540	0.153	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<2>,1|C<4>,1|O<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6110	0.000	1	120.6500	0.003	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	120.6890	0.000	1	120.6500	0.003	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<4>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]CH){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	120.4985	0.077	2	120.4985	0.006	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|Se<2>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.8070	0.000	1	119.8070	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]S)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|C<3>,1|S<6>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	122.4500	0.000	1	122.4500	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]S)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|S<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7645	0.503	2	120.7645	0.253	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]S)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]S)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|S<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8430	0.000	1	120.8430	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|H<1>,1|N<2>,1|O<1>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	121.3810	0.000	1	121.3810	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]C)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]O[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]C)(H){1|Si<4>,1|C<3>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)(C[5]O[5]HH){1|N<2>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	120.9650	0.000	1	120.9650	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]O)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]C[5]HH){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	119.4080	0.307	2	119.4080	0.094	2	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]O)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]HH){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	120.0620	0.000	1	120.0620	0.000	1	120.6423	0.479	2314	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]B[5,5]C[6a])(C[6a]C[6a]H)(N[5]C[5]CC){1|C<3>,2|F<1>,2|H<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	121.9430	0.000	1	121.9430	0.000	1	121.4270	0.093	7	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]B[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]B[5]CC){1|C<4>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2190	0.000	1	121.2395	0.001	2	121.4270	0.093	7	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]B[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]B[5]CC){1|Cl<1>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2600	0.000	1	121.2395	0.001	2	121.4270	0.093	7	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]BH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]BH){1|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5660	0.000	1	121.5660	0.000	1	121.4270	0.093	7	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]HH)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(N[5]C[5]HH){2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5620	0.000	1	121.5620	0.000	1	121.4270	0.093	7	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]B[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|P<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]B[5]CC){1|Br<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4410	0.000	1	121.2195	0.098	2	121.4270	0.093	7	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]B[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|P<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(N[5]B[5]CC){3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9980	0.000	1	121.2195	0.098	2	121.4270	0.093	7	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]B[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]C)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]B[5]CC){1|C<4>,1|H<1>,2|C<3>,2|F<1>}	H(C[6a]C[5,6a]C[6a])	119.1200	0.000	1	119.1200	0.000	1	120.5745	0.165	24	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(P[5]O[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(P[5]O[5]CC){1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8260	0.000	1	120.7530	0.021	4	120.5745	0.165	24	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(P[5]O[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(P[5]O[5]CC){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8085	0.136	2	120.7530	0.021	4	120.5745	0.165	24	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(P[5]O[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(P[5]O[5]CC){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5690	0.000	1	120.7530	0.021	4	120.5745	0.165	24	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]C[5]CC){1|Cr<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7320	0.000	1	120.8374	0.055	7	120.5745	0.165	24	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]C[5]CC){1|Hf<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6430	0.000	1	120.8374	0.055	7	120.5745	0.165	24	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]C[5]CC){1|Mo<6>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0360	0.238	2	120.8374	0.055	7	120.5745	0.165	24	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]C[5]CC){1|Pt<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0230	0.000	1	120.8374	0.055	7	120.5745	0.165	24	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]C[5]CC){1|Rh<8>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5110	0.000	1	120.8374	0.055	7	120.5745	0.165	24	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]C[5]CC){1|Ru<9>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8810	0.000	1	120.8374	0.055	7	120.5745	0.165	24	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]C[5]HW)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|W<6>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]C[5]HW){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8220	0.000	1	120.8220	0.000	1	120.5745	0.165	24	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]C[5]OO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]C[5]OO){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3120	0.000	1	120.3120	0.000	1	120.5745	0.165	24	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]O[5]CW)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,1|W<6>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(P[5]O[5]CW){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0890	0.000	1	120.0890	0.000	1	120.5745	0.165	24	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5]CS)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|N<2>,1|S<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(P[5]C[5]CS){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7360	0.000	1	120.7360	0.000	1	120.5745	0.165	24	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(P[5]C[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(P[5]C[5]CO){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6445	0.144	2	120.6445	0.021	2	120.5745	0.165	24	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]B[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|P<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]B[5]CC){1|C<3>,2|C<4>,2|H<1>,2|I<1>}	H(C[6a]C[5,6a]C[6a])	120.4945	0.172	2	120.4920	0.023	4	120.5745	0.165	24	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]B[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|P<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]B[5]CC){2|Br<1>,1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6320	0.000	1	120.4920	0.023	4	120.5745	0.165	24	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]B[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|P<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]B[5]CC){2|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3470	0.000	1	120.4920	0.023	4	120.5745	0.165	24	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:P[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]C[5]CC)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<4>,3|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(P[5]C[5]CC){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2885	0.012	2	120.2885	0.000	2	120.5745	0.165	24	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]2)(H){1|H<1>,2|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8970	0.042	2	120.8970	0.002	2	121.5058	0.614	341	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(S[5]N[5]OO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<2>,1|P<4>,2|O<1>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3480	0.000	1	120.3480	0.000	1	121.5058	0.614	341	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]N[5]OO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3512	0.214	8	121.3665	0.033	13	121.5058	0.614	341	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]N[5]OO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3020	0.000	1	121.3665	0.033	13	121.5058	0.614	341	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]N[5]OO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]N[5]OO){1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3900	0.000	1	121.3665	0.033	13	121.5058	0.614	341	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]N[5]OO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(S[5]N[5]OO){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4210	0.171	3	121.3665	0.033	13	121.5058	0.614	341	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[5]N[5]OO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|O<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1820	0.000	1	121.1820	0.000	1	121.5058	0.614	341	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<4>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6030	0.000	1	121.2680	0.055	23	121.5058	0.614	341	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0890	0.000	1	121.2680	0.055	23	121.5058	0.614	341	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4513	0.223	3	121.2680	0.055	23	121.5058	0.614	341	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0280	0.000	1	121.2680	0.055	23	121.5058	0.614	341	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]C[5]OO){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2405	0.223	17	121.2680	0.055	23	121.5058	0.614	341	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]CO){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9990	0.000	1	121.5050	0.197	3	121.5058	0.614	341	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]CO){1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6910	0.000	1	121.5050	0.197	3	121.5058	0.614	341	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]CO){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8250	0.000	1	121.5050	0.197	3	121.5058	0.614	341	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5420	0.000	1	121.5626	0.730	274	121.5058	0.614	341	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.5270	0.000	1	121.5626	0.730	274	121.5058	0.614	341	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1485	0.650	2	121.5626	0.730	274	121.5058	0.614	341	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<2>,1|C<3>,1|S<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3010	0.000	1	121.5626	0.730	274	121.5058	0.614	341	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1730	0.000	1	121.5626	0.730	274	121.5058	0.614	341	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4539	0.290	7	121.5626	0.730	274	121.5058	0.614	341	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	122.0580	0.000	1	121.5626	0.730	274	121.5058	0.614	341	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2668	0.514	9	121.5626	0.730	274	121.5058	0.614	341	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3920	0.172	4	121.5626	0.730	274	121.5058	0.614	341	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2570	0.000	1	121.5626	0.730	274	121.5058	0.614	341	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3140	0.000	1	121.5626	0.730	274	121.5058	0.614	341	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7890	1.343	5	121.5626	0.730	274	121.5058	0.614	341	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3710	0.000	1	121.5626	0.730	274	121.5058	0.614	341	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2883	0.207	4	121.5626	0.730	274	121.5058	0.614	341	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0050	0.000	1	121.5626	0.730	274	121.5058	0.614	341	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|F<1>,1|N<3>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|Ni<6>,1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4500	0.000	1	121.5626	0.730	274	121.5058	0.614	341	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4342	0.115	4	121.5626	0.730	274	121.5058	0.614	341	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5140	0.000	1	121.5626	0.730	274	121.5058	0.614	341	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5151	0.372	10	121.5626	0.730	274	121.5058	0.614	341	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5167	0.836	72	121.5626	0.730	274	121.5058	0.614	341	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7812	2.323	16	121.5626	0.730	274	121.5058	0.614	341	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5633	0.292	3	121.5626	0.730	274	121.5058	0.614	341	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5137	0.177	6	121.5626	0.730	274	121.5058	0.614	341	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5980	0.083	3	121.5626	0.730	274	121.5058	0.614	341	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6524	0.356	41	121.5626	0.730	274	121.5058	0.614	341	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4220	0.734	2	121.5626	0.730	274	121.5058	0.614	341	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|I<1>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5823	0.225	9	121.5626	0.730	274	121.5058	0.614	341	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|O<1>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2690	0.000	1	121.5626	0.730	274	121.5058	0.614	341	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6297	1.164	25	121.5626	0.730	274	121.5058	0.614	341	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0215	0.784	2	121.5626	0.730	274	121.5058	0.614	341	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|Mn<6>,1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6445	3.137	2	121.5626	0.730	274	121.5058	0.614	341	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|Ni<6>,1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7370	0.000	1	121.5626	0.730	274	121.5058	0.614	341	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6659	0.253	9	121.5626	0.730	274	121.5058	0.614	341	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|Pd<3>,1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6820	0.071	2	121.5626	0.730	274	121.5058	0.614	341	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|Pd<4>,1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6338	0.177	18	121.5626	0.730	274	121.5058	0.614	341	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|Pd<4>,1|C<3>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5422	0.319	6	121.5626	0.730	274	121.5058	0.614	341	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]O[5]OO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]O[5]OO){1|C<3>,1|N<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8030	0.000	2	121.8030	0.000	2	121.5058	0.614	341	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(S[5]N[5]CO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|I<2>,1|N<2>,1|O<1>}	C[5,6a](C[5,6a]C[6a]I[5])(C[6a]C[6a]H)(S[5]N[5]CO){1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0360	0.000	1	121.0360	0.000	1	121.5058	0.614	341	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5]OO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|S<4>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5]OO){1|C<3>,1|C<4>,1|F<1>,2|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	121.4070	0.041	2	121.1207	0.051	6	121.5058	0.614	341	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5]OO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]C[5]OO){2|C<3>,2|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	120.9775	0.049	4	121.1207	0.051	6	121.5058	0.614	341	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5]OO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<4>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,2|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	121.2027	0.165	4	121.2528	0.017	12	121.5058	0.614	341	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5]OO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|S<4>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	121.1725	0.037	2	121.2528	0.017	12	121.5058	0.614	341	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5]OO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|S<4>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,1|O<2>,2|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	121.2860	0.034	2	121.2528	0.017	12	121.5058	0.614	341	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5]OO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|S<4>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<3>,2|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2240	0.105	2	121.2528	0.017	12	121.5058	0.614	341	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5]OO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|S<4>,2|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(S[5]N[5]OO){2|C<3>,2|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	121.4290	0.006	2	121.2528	0.017	12	121.5058	0.614	341	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1680	0.075	2	121.3943	0.156	3	121.5058	0.614	341	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]OO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.8470	0.000	1	121.3943	0.156	3	121.5058	0.614	341	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5,6a]HH)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(H){1|S<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5,6a]HH){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[5,6a])	120.3085	0.093	2	120.3085	0.009	2	121.8094	2.677	5	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5]CC)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(H){1|C<3>,1|H<1>,2|N<2>,4|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5]CC){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[5,6a])	124.2560	0.000	1	124.2560	0.000	1	121.8094	2.677	5	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5,6]HH)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(H){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5,6]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[5,6a])	121.9210	0.000	1	121.9210	0.000	1	121.8094	2.677	5	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(C[5]O[5]HH)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(C[5]O[5]HH){1|N<2>,1|O<1>,2|C<3>}	H(C[6a]C[5a,6a]C[5,6a])	122.2530	0.000	1	122.2530	0.000	1	121.8094	2.677	5	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6,6a]H)(C[5]C[5]CO)	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[5,6a]C[5,6a]C[5])(H){1|O<2>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6,6a]H)(C[5]C[5]CO){1|N<3>,1|O<1>,2|C<3>,2|O<2>}	H(C[6a]C[5,6a]C[6,6a])	120.5650	0.000	1	120.5425	0.001	2	120.2962	0.310	5	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6,6a]H)(C[5]C[5]CO)	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[5,6a]C[5,6a]C[5])(H){1|O<2>,3|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6,6a]H)(C[5]C[5]CO){1|N<3>,1|O<1>,2|C<3>,2|O<2>}	H(C[6a]C[5,6a]C[6,6a])	120.5200	0.000	1	120.5425	0.001	2	120.2962	0.310	5	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6,6a]H)(C[5]C[5]OO)	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[5,6a]C[5,6a]C[5])(H){2|C<4>,2|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6,6a]H)(C[5]C[5]OO){1|N<3>,1|O<1>,1|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6,6a])	120.5350	0.000	1	120.5350	0.000	1	120.2962	0.310	5	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]C[5]HH)	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[5])(H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]C[5]HH){1|C<3>,1|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6,6a])	119.3000	0.000	1	119.3000	0.000	1	120.2962	0.310	5	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]CH)	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5,6a]C[5,6a]C[5])(H){1|H<1>,1|O<2>,3|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]O[5]CH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6a]C[5,6a]C[6,6a])	120.5610	0.000	1	120.5610	0.000	1	120.2962	0.310	5	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:B[5]-4:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]B[5])(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[6a]C[6a,6a]H)(B[5]N[5,6]CC)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]B[5])(H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[6a]C[6a,6a]H)(B[5]N[5,6]CC){5|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	118.9660	0.000	1	118.9660	0.000	1	118.9660	0.000	1	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]HH)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]HH){2|H<1>,3|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	120.8440	0.000	1	120.8440	0.000	1	120.4630	0.320	49	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,6]HH)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,6]HH){2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	119.8150	0.057	2	119.8150	0.003	2	120.4630	0.320	49	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[5,5]N[6a])(C[6a]C[6a,6a]H)(C[5]C[5,5]BrH)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|Br<1>,1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]N[6a])(C[6a]C[6a,6a]H)(C[5]C[5,5]BrH){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	121.2550	0.366	2	120.8935	0.130	6	120.4630	0.320	49	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[5,5]N[6a])(C[6a]C[6a,6a]H)(C[5]C[5,5]BrH)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){2|Br<1>,1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]N[6a])(C[6a]C[6a,6a]H)(C[5]C[5,5]BrH){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	120.7127	0.205	4	120.8935	0.130	6	120.4630	0.320	49	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[5,5]N[6a])(C[6a]C[6a,6a]H)(C[5]C[5,5]HH)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|Br<1>,1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]N[6a])(C[6a]C[6a,6a]H)(C[5]C[5,5]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	120.7060	0.000	1	120.7060	0.000	1	120.4630	0.320	49	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,6]HH)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,6]HH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[6a,6a]C[5,6a])	120.1030	0.000	1	120.1030	0.000	1	120.4630	0.320	49	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(C[5]N[5,6]CH)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(C[5]N[5,6]CH){1|S<4>,2|H<1>,3|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	120.2960	0.000	1	120.2960	0.000	1	120.4630	0.320	49	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,6a]CH)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,6a]CH){5|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	119.7200	0.000	1	119.7200	0.000	1	120.4630	0.320	49	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]H)(C[5]N[5,6a]HH)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]H)(C[5]N[5,6a]HH){4|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	120.9697	0.337	3	120.9697	0.114	3	120.4630	0.320	49	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]CH)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]CH){3|C<3>,3|H<1>}	H(C[6a]C[6a,6a]C[5,6a])	119.8180	0.000	1	119.8180	0.000	1	120.4630	0.320	49	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH){2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[6a,6a]C[5,6a])	120.1070	0.000	1	120.0640	0.006	5	120.4630	0.320	49	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH){3|H<1>,4|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	120.0450	0.137	2	120.0640	0.006	5	120.4630	0.320	49	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH){1|H<1>,4|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	120.0615	0.053	2	120.0640	0.006	5	120.4630	0.320	49	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HO)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HO){2|C<3>,5|H<1>}	H(C[6a]C[6a,6a]C[5,6a])	119.9250	0.000	1	119.9250	0.000	1	120.4630	0.320	49	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]HH)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]HH){1|Si<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6a]C[6a,6a]C[5,6a])	120.2657	0.203	4	120.3685	0.051	6	120.4630	0.320	49	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]HH)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|N<3>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]HH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	120.5740	0.047	2	120.3685	0.051	6	120.4630	0.320	49	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]CC)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|O<1>,2|C<4>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]CC){1|O<1>,3|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	121.6350	0.000	1	121.6350	0.000	1	120.4630	0.320	49	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]CH)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]CH){1|O<1>,1|O<2>,2|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	120.5000	0.000	1	120.5000	0.000	1	120.4630	0.320	49	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]HH)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]HH){2|C<3>,3|H<1>}	H(C[6a]C[6a,6a]C[5,6a])	121.0280	0.819	2	120.6082	0.494	4	120.4630	0.320	49	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]HH)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]HH){2|H<1>,3|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	120.1885	0.329	2	120.6082	0.494	4	120.4630	0.320	49	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]S[5]HH)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]S[5]HH){2|H<1>,2|O<1>,3|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	119.8180	0.068	2	119.8180	0.005	2	120.4630	0.320	49	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(C[5]C[5]CC)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){2|C<3>,2|N<3>,4|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(C[5]C[5]CC){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[6a,6a]C[5,6a])	120.3430	0.000	1	120.3430	0.000	1	120.4630	0.320	49	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(C[5]C[5]CO)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(C[5]C[5]CO){1|Si<4>,1|H<1>,2|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	120.2060	0.072	2	120.2060	0.005	2	120.4630	0.320	49	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH){1|S<4>,2|C<3>,3|H<1>}	H(C[6a]C[6a,6a]C[5,6a])	119.9050	0.000	1	119.9050	0.000	1	120.4630	0.320	49	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	122.2480	0.000	1	120.8630	1.468	3	120.4630	0.320	49	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH){1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	120.1705	0.243	2	120.8630	1.468	3	120.4630	0.320	49	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]HO)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|N<2>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]HO){1|C<4>,1|O<1>,2|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	121.0890	0.000	1	121.0890	0.000	1	120.4630	0.320	49	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]CH)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]H)(C[5]O[5]CH){3|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	121.3570	0.000	1	121.3570	0.000	1	120.4630	0.320	49	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]N[6a]S[5])(C[6a]C[6a,6a]H)(C[5]C[5]HO)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|C<4>,1|N<2>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]N[6a]S[5])(C[6a]C[6a,6a]H)(C[5]C[5]HO){4|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	120.4110	0.222	2	120.4110	0.049	2	120.4630	0.320	49	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]C[5])(H){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]C[5]HH){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	H(C[6a]C[6a,6a]C[5,6a])	120.1240	0.000	1	120.1240	0.000	1	120.4630	0.320	49	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]S[5])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H)(S[5]C[5,6a]OO)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]S[5])(H){1|H<1>,2|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H)(S[5]C[5,6a]OO){1|H<1>,4|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	120.2980	0.284	2	120.2980	0.081	2	120.2980	0.081	2	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	N[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5])(H)	C[5,6a](N[5,6a]N[5,5]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,5]HH)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]N[5,6a]C[5])(H){1|Cl<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](N[5,6a]N[5,5]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,5]HH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6a]C[6a,6a]C[5,6a])	119.9390	0.000	1	119.9390	0.000	1	119.9390	0.000	1	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:4:	3:	N[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]S[5])(H)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[5a,6a]H)(S[5]O[5]OO)	H(C[6a]N[5a,6a]C[5,6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]S[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[5a,6a]H)(S[5]O[5]OO){1|C<3>,1|N<2>,2|C<4>}	H(C[6a]N[5a,6a]C[5,6a])	122.3590	0.000	1	122.3590	0.000	1	122.3590	0.000	1	120.7079	0.660	3539	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:5:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:I[5]-5:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]F3)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,3|F<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]F3){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4120	0.000	1	121.4120	0.000	1	121.3780	0.002	2	121.3780	0.002	2	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:3:5:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:I[5]-5:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]O3)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]I[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,4|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(I[5]O[5]O3){1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3440	0.000	1	121.3440	0.000	1	121.3780	0.002	2	121.3780	0.002	2	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H){1|O<2>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[5,6a]H){1|O<2>,5|C<3>,5|H<1>}	H(C[6a]C[5,6a]2)	122.6500	0.000	1	122.6500	0.000	1	122.6500	0.000	1	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]CC)(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H){1|S<2>,3|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]CC)(C[6a]C[5,6a]H){1|H<1>,1|S<2>,3|C<3>}	H(C[6a]C[5,6a]2)	121.0533	0.080	6	121.0533	0.006	6	121.5189	0.982	28	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a]2)(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]C[5])(H){1|C<4>,1|S<2>,6|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a]2)(C[6a]C[5,6a]H){1|H<1>,1|S<2>,7|C<3>}	H(C[6a]C[5,6a]2)	121.2310	0.271	5	121.2310	0.073	5	121.5189	0.982	28	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[5])(H){1|Se<2>,1|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[5,6a]H){1|H<1>,1|O<1>,7|C<3>}	H(C[6a]C[5,6a]2)	121.2040	0.000	1	121.2040	0.000	1	121.5189	0.982	28	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){2|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[5,6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]2)	121.1830	0.270	2	121.0263	0.043	6	121.5189	0.982	28	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){3|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[5,6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]2)	120.9480	0.151	4	121.0263	0.043	6	121.5189	0.982	28	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(H){1|C<4>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[5,6a]H){1|H<1>,8|C<3>}	H(C[6a]C[5,6a]2)	121.1533	0.247	3	121.1533	0.061	3	121.5189	0.982	28	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]O)(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){2|C<3>,2|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]O)(C[6a]C[5,6a]H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	H(C[6a]C[5,6a]2)	122.4510	0.000	1	122.4510	0.000	1	121.5189	0.982	28	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]O[5]H)(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]O[5]H)(C[6a]C[5,6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]2)	122.3130	0.000	1	122.3130	0.000	1	121.5189	0.982	28	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[5,6a]H){2|H<1>,2|O<2>,3|C<3>}	H(C[6a]C[5,6a]2)	122.4910	0.000	1	122.4910	0.000	1	121.5189	0.982	28	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[5,6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]2)	122.4240	0.000	1	122.4240	0.000	1	121.5189	0.982	28	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]2)(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])2(H){1|C<4>,1|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]2)(C[6a]C[5,6a]H){1|Se<2>,1|H<1>,7|C<3>}	H(C[6a]C[5,6a]2)	121.6140	0.000	1	121.6140	0.000	1	121.5189	0.982	28	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])2(H){1|C<4>,1|O<1>,1|O<2>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[5,6a]H){1|H<1>,1|O<1>,5|C<3>}	H(C[6a]C[5,6a]2)	122.1120	0.000	1	122.1120	0.000	1	121.5189	0.982	28	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]Cl)(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])2(H){1|Cl<1>,1|C<4>,1|O<1>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]Cl)(C[6a]C[5,6a]H){1|H<1>,1|O<1>,4|C<3>}	H(C[6a]C[5,6a]2)	125.8270	0.000	1	125.8270	0.000	1	121.5189	0.982	28	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]P[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]P[5])(H){1|H<1>,1|O<1>,1|P<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[5,6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]2)	121.2370	0.229	2	121.2370	0.052	2	121.0643	0.057	4	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]S)(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]P[5])(C[5,6a]C[5,6a]2)(H){1|P<4>,1|S<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]S)(C[6a]C[5,6a]H){1|H<1>,6|C<3>}	H(C[6a]C[5,6a]2)	120.8915	0.011	2	120.8915	0.000	2	121.0643	0.057	4	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]Si[5])(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]CC)(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5,6a]C[5,6a]Si[5])(H){1|Si<4>,1|S<2>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]CC)(C[6a]C[5,6a]H){1|H<1>,1|S<2>,3|C<3>}	H(C[6a]C[5,6a]2)	120.1540	0.000	1	120.1540	0.000	1	120.1410	0.545	6	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]Si[5])(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]Si[5])(H){1|Si<4>,1|S<4>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[5,6a]H){1|H<1>,1|S<4>,3|C<3>}	H(C[6a]C[5,6a]2)	120.0070	0.000	1	120.0070	0.000	1	120.1410	0.545	6	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]Si[5])(C[5,6a]C[5,6a]2)(H){1|Si<4>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[5,6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]2)	119.7440	0.000	1	119.7440	0.000	1	120.1410	0.545	6	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]2)(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]Si[5])(C[5,6a]C[5,6a]2)(H){1|Si<4>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]2)(C[6a]C[5,6a]H){1|H<1>,8|C<3>}	H(C[6a]C[5,6a]2)	119.6820	0.000	1	119.6820	0.000	1	120.1410	0.545	6	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[5,6a]C[5,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]C)(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]Si[5])(C[5,6a]C[5,6a]2)(H){1|Si<4>,1|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]C)(C[6a]C[5,6a]H){1|H<1>,6|C<3>}	H(C[6a]C[5,6a]2)	120.6295	1.364	2	120.6295	1.861	2	120.1410	0.545	6	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]Si[5])(C[6,6a]C[6,6a,6a]C[6])(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(Si[5]C[5,6a]CC)(C[6a]C[6,6a]H)	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,6a,6a]Si[5])(C[6,6a]C[6,6a,6a]C[6])(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(Si[5]C[5,6a]CC)(C[6a]C[6,6a]H){5|C<3>}	H(C[6a]C[5,6a]C[6,6a])	119.2655	0.110	2	119.2655	0.012	2	119.2655	0.012	2	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6,6a]C[6,6a]O[6])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6,6a]H)	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6,6a]C[6,6a]O[6])(H){1|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6,6a]H){1|H<1>,1|O<2>,7|C<3>}	H(C[6a]C[5,6a]C[6,6a])	121.2700	0.000	1	121.2700	0.000	1	121.2700	0.000	1	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6,6a]H)	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(H){2|H<1>,3|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6,6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6,6a])	119.4700	0.061	4	119.4700	0.004	4	119.7400	0.367	5	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]O[6])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6,6a]H)	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]O[6])(H){1|C<4>,1|N<3>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6,6a]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6,6a])	120.8200	0.000	1	120.8200	0.000	1	119.7400	0.367	5	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6,6a]C[6,6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[5]C[6]O)(C[6a]C[6,6a]H)	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6,6a]C[6,6a]2)(H){1|C<4>,1|O<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[5]C[6]O)(C[6a]C[6,6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6,6a])	119.7830	0.000	1	119.7830	0.000	1	119.7830	0.000	1	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	N[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]N[5,6a]C[5,5])(C[6,6a]C[6,6a]C[6])(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6,6a]H)	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]N[5,6a]C[5,5])(C[6,6a]C[6,6a]C[6])(H){2|C<3>,3|O<2>,4|C<4>}	C[5,6a](N[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6,6a]H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6,6a])	121.0740	0.000	1	121.0740	0.000	1	121.0740	0.000	1	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a,6a]C[6a,6a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a,6a]C[6a,6a]2)(H){1|O<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	119.7950	0.000	1	119.7950	0.000	1	119.7950	0.000	1	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6a]P[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,5,6a]C[5,5,6a]C[5,6a])(P[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6a]P[5])(C[6a]C[6a]N)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,5,6a]C[5,5,6a]C[5,6a])(P[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){1|N<3>,1|P<4>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1860	0.209	2	120.1860	0.044	2	120.1860	0.044	2	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]C[5,5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	H(C[6a]C[5,6a]C[6a])	119.7650	0.000	1	119.7650	0.000	1	119.7650	0.000	1	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.9620	0.000	1	120.5988	0.186	5	120.4220	0.109	12	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7580	0.281	4	120.5988	0.186	5	120.4220	0.109	12	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[6,6]C[5]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,4|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[6,6]C[5]C[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.0740	0.000	1	120.0740	0.000	1	120.4220	0.109	12	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[6,6a]C[5]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,4|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6]C[6,6a]C[5]C[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3327	0.161	6	120.3327	0.026	6	120.4220	0.109	12	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6,6a]C[5,6,6a]2)(C[5]C[5,6a]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[5,6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6,6a]C[5,6,6a]2)(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.4300	0.076	2	119.5300	0.017	4	119.8889	0.440	14	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6,6a]C[5,6,6a]2)(C[5]C[5,6a]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[5,6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6,6a]C[5,6,6a]2)(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.6300	0.066	2	119.5300	0.017	4	119.8889	0.440	14	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[5,6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.5620	0.351	3	119.5182	0.065	5	119.8889	0.440	14	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[5,6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.4525	0.006	2	119.5182	0.065	5	119.8889	0.440	14	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6,6a]C[5,6,6a]C[6,6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]C)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6,6a]C[5,6,6a]C[6,6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){2|C<4>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.9855	0.226	2	119.9855	0.051	2	119.8889	0.440	14	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6a]C[5,6,6]C[6,6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6,6a]C[5,6,6]C[6,6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|Ru<11>,1|H<1>,2|C<3>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	121.3040	0.255	2	121.3040	0.065	2	119.8889	0.440	14	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6a]C[5,6,6]C[6,6a])(C[5]C[5,6]MoH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]C[5])(C[6a]C[6a]H)(H){1|Mo<10>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6,6a]C[5,6,6]C[6,6a])(C[5]C[5,6]MoH)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	120.1540	0.000	1	120.1540	0.000	1	119.8889	0.440	14	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(P[5]C[6a]C[5]Rh)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6a]P[5])(C[6a]C[6a]H)(H){1|Rh<4>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(P[5]C[6a]C[5]Rh)(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5010	0.147	2	120.5010	0.022	2	120.5010	0.022	2	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:B[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]B[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[5,5]C[5,6a]2P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]B[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[5,5]C[5,6a]2P[5])(C[6a]C[6a]H){1|H<1>,2|C<4>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	119.2420	0.000	1	119.2420	0.000	1	119.2420	0.000	1	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:B[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]B[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(B[5]P[5]Cl2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]B[5])(C[6a]C[5,6a]H)(H){2|Cl<1>,1|C<4>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(B[5]P[5]Cl2)(C[6a]C[6a]H){1|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	118.5680	0.000	1	118.5680	0.000	1	118.8296	0.116	5	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:B[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[5]C[6a]2P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[5]C[6a]2P[5])(C[6a]C[6a]H){1|H<1>,2|C<4>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	118.3630	0.000	1	118.8417	0.172	3	118.8296	0.116	5	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:B[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[5]C[6a]2P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[5]C[6a]2P[5])(C[6a]C[6a]H){1|H<1>,9|C<3>}	H(C[6a]C[5,6a]C[6a])	119.0810	0.025	2	118.8417	0.172	3	118.8296	0.116	5	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:B[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[5]C[6a]P[5]N)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<4>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[5]C[6a]P[5]N)(C[6a]C[6a]H){1|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	119.0550	0.000	1	119.0550	0.000	1	118.8296	0.116	5	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[3,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){2|Br<1>,1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6225	0.009	2	120.6225	0.000	2	120.6225	0.000	2	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[3x5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[3x5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[3x5]C[5,6a]2C[3x5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[3x5])(C[6a]C[5,6a]H)(H){1|C<4>,5|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[3x5]C[5,6a]2C[3x5])(C[6a]C[6a]H){1|H<1>,9|C<3>}	H(C[6a]C[5,6a]C[6a])	119.5338	0.206	6	119.5338	0.042	6	120.1627	0.394	13	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[3x5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[3x5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[3x5]C[5,5,6]C[5,5]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[3x5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[3x5]C[5,5,6]C[5,5]N[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,4|C<3>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	120.6960	0.212	2	120.7357	0.011	6	120.1627	0.394	13	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[3x5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[3x5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[3x5]C[5,5,6]C[5,5]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[3x5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[3x5]C[5,5,6]C[5,5]N[5])(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>,5|C<4>}	H(C[6a]C[5,6a]C[6a])	120.7610	0.000	1	120.7357	0.011	6	120.1627	0.394	13	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[3x5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[3x5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[3x5]C[5,5,6]C[5,5]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[3x5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[3x5]C[5,5,6]C[5,5]N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<4>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7537	0.054	3	120.7357	0.011	6	120.1627	0.394	13	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[3x5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[3x5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[3x5]C[5,5]2N[5,5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[3x5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[3x5]C[5,5]2N[5,5])(C[6a]C[6a]H){1|H<1>,2|O<2>,4|C<3>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	120.4980	0.000	1	120.4980	0.000	1	120.1627	0.394	13	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[4,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[4,5]C[4,5]2H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[4,5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[4,5]C[4,5]2H)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0900	1.626	2	121.0900	2.645	2	121.5950	1.410	4	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[4,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[4,5]N[4,5a]C[4,5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[4,5]N[4,5a]C[4,5]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	122.1000	0.752	2	122.1000	0.566	2	121.5950	1.410	4	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5,6]C[5,6]2C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5,6]C[5,6]2C[5])(C[6a]C[6a]H){1|H<1>,9|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8620	0.000	1	120.8620	0.000	1	120.8620	0.000	1	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[3x5]C[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[3x5]C[5,6]O)(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1990	0.000	1	121.1990	0.000	1	120.6723	0.082	108	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[3x5]N[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[3x5]N[5,6]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.7605	0.099	8	120.7605	0.010	8	120.6723	0.082	108	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[3x5]O[5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[3x5]O[5]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9860	0.000	1	120.9860	0.000	1	120.6723	0.082	108	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]2C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]2C[5])(C[6a]C[6a]H){3|C<4>,3|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4095	0.030	2	120.4095	0.001	2	120.6723	0.082	108	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5310	0.000	1	120.5310	0.000	1	120.6723	0.082	108	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]C)(C[6a]C[6a]H){1|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4085	0.136	2	120.4085	0.019	2	120.6723	0.082	108	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7385	0.062	2	120.7385	0.004	2	120.6723	0.082	108	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,3|C<4>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6250	0.088	2	120.5037	0.012	12	120.6723	0.082	108	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<4>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4768	0.101	6	120.5037	0.012	12	120.6723	0.082	108	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]N[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	120.4832	0.118	4	120.5037	0.012	12	120.6723	0.082	108	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]O)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9150	0.000	1	120.5880	1.205	3	120.6723	0.082	108	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]C[5]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4245	1.500	2	120.5880	1.205	3	120.6723	0.082	108	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5,5]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5,5]C[5])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,3|C<4>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7340	0.000	1	120.4692	0.030	5	120.6723	0.082	108	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5,5]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5,5]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<4>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4167	0.119	3	120.4692	0.030	5	120.6723	0.082	108	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5,5]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5,5]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	120.3620	0.000	1	120.4692	0.030	5	120.6723	0.082	108	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5,6]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6030	0.000	1	120.6030	0.000	1	120.6723	0.082	108	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5]H)(C[6a]C[6a]H){1|C<2>,1|N<3>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9020	0.027	2	121.0192	0.057	14	120.6723	0.082	108	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0387	0.254	12	121.0192	0.057	14	120.6723	0.082	108	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]O[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]O[5]C)(C[6a]C[6a]H){1|B<3>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8503	0.125	4	120.8503	0.016	4	120.6723	0.082	108	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]C[5]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]C[5]N[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<4>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6180	0.000	1	120.5818	0.057	13	120.6723	0.082	108	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]C[5]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]C[5]N[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	120.5945	0.256	11	120.5818	0.057	13	120.6723	0.082	108	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]C[5]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]C[5]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4070	0.000	1	120.5818	0.057	13	120.6723	0.082	108	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]N[5,5]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]N[5,5]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	120.6316	0.170	10	120.6353	0.024	12	120.6723	0.082	108	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]N[5,5]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]N[5,5]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6540	0.020	2	120.6353	0.024	12	120.6723	0.082	108	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]N[5,6]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]N[5,6]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	120.6506	0.151	5	120.6753	0.022	6	120.6723	0.082	108	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]N[5,6]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6]N[5,6]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7990	0.000	1	120.6753	0.022	6	120.6723	0.082	108	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<2>,1|H<1>,1|O<1>,3|C<4>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6360	0.000	1	120.5794	0.023	11	120.6723	0.082	108	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5097	0.162	6	120.5794	0.023	11	120.6723	0.082	108	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7320	0.008	2	120.5794	0.023	11	120.6723	0.082	108	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|Ga<3>,1|N<2>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6075	0.139	2	120.5794	0.023	11	120.6723	0.082	108	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5550	0.000	1	120.5550	0.000	1	120.6723	0.082	108	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|O<1>,3|C<4>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4370	0.000	1	120.6779	0.088	8	120.6723	0.082	108	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<2>,3|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.8640	0.000	1	120.6779	0.088	8	120.6723	0.082	108	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]N[5,5]C[5]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6870	0.323	6	120.6779	0.088	8	120.6723	0.082	108	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]N[5,6]C[5]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]N[5,6]C[5]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6770	0.000	1	120.6770	0.000	1	120.6723	0.082	108	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]C[6]C)(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5190	0.041	2	120.5190	0.002	2	120.6102	0.071	11	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]N[5,6]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6]N[5,6]C[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6060	0.045	4	120.6060	0.002	4	120.6102	0.071	11	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6]C[5]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6]C[5]C[6])(C[6a]C[6a]H){1|C<2>,1|H<1>,1|O<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8390	0.000	1	120.8390	0.000	1	120.6102	0.071	11	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6a]C[5]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6a]C[5]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9940	0.000	1	120.5290	0.284	3	120.6102	0.071	11	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6a]C[5]C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]C[6,6a]C[5]C[6])(C[6a]C[6a]H){3|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2965	0.493	2	120.5290	0.284	3	120.6102	0.071	11	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]N[5a,6]C[6,6]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,6]N[5a,6]C[6,6]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8240	0.000	1	120.8240	0.000	1	120.6102	0.071	11	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]C[5])(H){1|Fe<10>,2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|C<4>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	118.7030	0.631	3	118.7030	0.398	3	120.3745	1.177	58	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.9771	1.458	20	120.0365	2.020	22	120.3745	1.177	58	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]H)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6310	1.124	2	120.0365	2.020	22	120.3745	1.177	58	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a,6a]Br)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a,6a]Br)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){1|Br<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8830	0.081	2	120.8830	0.006	2	120.3745	1.177	58	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]C)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|C<4>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2535	0.199	2	120.2535	0.039	2	120.3745	1.177	58	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(C[5]C[5,6]MoH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Mo<10>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(C[5]C[5,6]MoH)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	118.7510	0.000	1	118.7510	0.000	1	120.3745	1.177	58	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8400	0.180	11	120.8400	0.032	11	120.3745	1.177	58	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H){1|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4520	0.000	1	120.4520	0.000	1	120.3745	1.177	58	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]C[6]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]C[6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8790	0.000	1	120.8790	0.000	1	120.3745	1.177	58	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]EuN)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Eu<14>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]EuN)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9735	0.063	2	120.9735	0.004	2	120.3745	1.177	58	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|N<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6740	0.058	2	120.6740	0.003	2	120.3745	1.177	58	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]NiN)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Ni<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]NiN)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6700	0.000	1	120.6700	0.000	1	120.3745	1.177	58	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]SmN)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Sm<14>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]SmN)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6000	0.468	2	120.6000	0.219	2	120.3745	1.177	58	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]TaN)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Ta<8>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]TaN)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1850	0.079	3	121.1850	0.006	3	120.3745	1.177	58	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]TiN)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|Ti<12>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[5]TiN)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.8310	0.000	1	121.8310	0.000	1	120.3745	1.177	58	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6]N[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|N<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6]N[5]H)(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7465	0.035	2	120.7465	0.001	2	120.3745	1.177	58	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6]O[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5]C[6]O[5]H)(C[6a]C[6a]H){1|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5840	0.990	2	120.5840	0.980	2	120.3745	1.177	58	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:Ga[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]Ga[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(Ga[5]P[5]Cl2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]Ga[5])(C[6a]C[5,6a]H)(H){2|Cl<1>,1|C<4>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(Ga[5]P[5]Cl2)(C[6a]C[6a]H){1|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	118.2970	0.000	1	118.2970	0.000	1	119.3520	2.226	2	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:Ga[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]Ga[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(Ga[5]N[5]Cl2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]Ga[5])(C[6a]C[6a]H)(H){2|Cl<1>,1|H<1>,1|N<4>,2|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(Ga[5]N[5]Cl2)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4070	0.000	1	120.4070	0.000	1	119.3520	2.226	2	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:Ge[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]Ge[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(Ge[5]C[5,6a]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]Ge[5])(C[6a]C[5,6a]H)(H){1|Ge<4>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(Ge[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.1875	0.314	11	119.1875	0.099	11	119.1875	0.099	11	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:In[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]In[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(In[5]P[5]Cl2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]In[5])(C[6a]C[5,6a]H)(H){2|Cl<1>,1|C<4>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(In[5]P[5]Cl2)(C[6a]C[6a]H){1|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	118.3360	0.000	1	118.3360	0.000	1	118.3360	0.000	1	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:N[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(N[5]Ga[5]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]H)(H){1|Ga<4>,1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(N[5]Ga[5]CC)(C[6a]C[6a]H){2|Cl<1>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5690	0.000	1	120.5690	0.000	1	120.5690	0.000	1	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(P[5]As[5]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H){1|As<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(P[5]As[5]CC)(C[6a]C[6a]H){1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.1410	0.263	2	119.2357	0.061	3	119.7287	0.406	23	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(P[5]As[5]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H){1|As<3>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(P[5]As[5]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.4250	0.000	1	119.2357	0.061	3	119.7287	0.406	23	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(P[5]As[5]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H){1|As<2>,1|C<4>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(P[5]As[5]C[6a]2)(C[6a]C[6a]H){1|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	118.7240	0.000	1	118.7240	0.000	1	119.7287	0.406	23	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(P[5]C[6a]2B[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H){1|B<4>,1|C<4>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(P[5]C[6a]2B[5])(C[6a]C[6a]H){2|Cl<1>,1|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3480	0.000	1	120.3480	0.000	1	119.7287	0.406	23	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(P[5]C[6a]2Ga[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H){1|Ga<4>,1|C<4>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(P[5]C[6a]2Ga[5])(C[6a]C[6a]H){2|Cl<1>,1|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	119.1480	0.000	1	119.1480	0.000	1	119.7287	0.406	23	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(P[5]C[6a]2In[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H){1|In<4>,1|C<4>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(P[5]C[6a]2In[5])(C[6a]C[6a]H){2|Cl<1>,1|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	118.6340	0.000	1	118.6340	0.000	1	119.7287	0.406	23	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(P[5]C[6a]2P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H){1|C<4>,1|P<3>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(P[5]C[6a]2P[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	119.0680	0.000	1	119.0680	0.000	1	119.7287	0.406	23	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(P[5]C[6a]C[5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H){1|O<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(P[5]C[6a]C[5]O)(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.5930	0.000	1	119.5930	0.000	1	119.7287	0.406	23	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(P[5]C[6a]C[5]Pt)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H){1|Pt<4>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(P[5]C[6a]C[5]Pt)(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.6100	0.000	1	119.6100	0.000	1	119.7287	0.406	23	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(P[5]C[6a]P[5]Mo)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H){1|Mo<6>,1|C<4>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(P[5]C[6a]P[5]Mo)(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	118.8480	0.000	1	118.8480	0.000	1	119.7287	0.406	23	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(P[5]P[5]Se2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[5,6a]H)(H){2|Se<1>,1|C<4>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(P[5]P[5]Se2)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.1350	0.000	1	119.1350	0.000	1	119.7287	0.406	23	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(P[5]B[5,5]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(P[5]B[5,5]CC)(C[6a]C[6a]H){1|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2470	0.000	1	120.2470	0.000	1	119.7287	0.406	23	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(P[5]C[6a]2B[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(P[5]C[6a]2B[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3130	0.000	1	120.3102	0.007	4	119.7287	0.406	23	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(P[5]C[6a]2B[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(P[5]C[6a]2B[5])(C[6a]C[6a]H){1|H<1>,1|N<4>,8|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3980	0.000	1	120.3102	0.007	4	119.7287	0.406	23	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(P[5]C[6a]2B[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(P[5]C[6a]2B[5])(C[6a]C[6a]H){1|H<1>,9|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2650	0.095	2	120.3102	0.007	4	119.7287	0.406	23	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(P[5]C[6a]C[5]B)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(P[5]C[6a]C[5]B)(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5180	0.010	2	120.5180	0.000	2	119.7287	0.406	23	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(P[5]C[6a]P[5]Fe)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H){1|Fe<5>,1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(P[5]C[6a]P[5]Fe)(C[6a]C[6a]H){1|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2580	0.000	1	120.2580	0.000	1	119.7287	0.406	23	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(P[5]P[5]SeO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H){1|Se<1>,1|H<1>,1|O<2>,1|P<3>,2|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(P[5]P[5]SeO)(C[6a]C[6a]H){1|H<1>,1|P<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2520	0.000	1	120.0547	0.036	3	119.7287	0.406	23	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(P[5]P[5]SeO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]P[5])(C[6a]C[6a]H)(H){1|Se<1>,1|H<1>,1|O<2>,1|P<4>,2|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(P[5]P[5]SeO)(C[6a]C[6a]H){1|Se<1>,1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.9560	0.117	2	120.0547	0.036	3	119.7287	0.406	23	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:Si[4,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]Si[4,5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(Si[4,5]Si[4,4,5]C[4]N)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]Si[4,5])(C[6a]C[5,6a]H)(H){1|Si<5>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(Si[4,5]Si[4,4,5]C[4]N)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|N<3>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	117.9440	0.000	1	117.9440	0.000	1	118.1187	0.030	3	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:Si[4,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]Si[4,5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(Si[4,5]Si[4,5]C[4]N)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]Si[4,5])(C[6a]C[5,6a]H)(H){1|Si<4>,1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(Si[4,5]Si[4,5]C[4]N)(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	118.2060	0.122	2	118.2060	0.015	2	118.1187	0.030	3	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]Si[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(Si[5]C[5,6a]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]Si[5])(C[6a]C[5,6a]H)(H){1|Si<4>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(Si[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	118.9219	0.219	11	118.9219	0.048	11	119.1512	0.201	15	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]Si[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.9795	0.052	2	119.9795	0.003	2	119.1512	0.201	15	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(Si[5]C[5]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]Si[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(Si[5]C[5]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.5840	0.095	2	119.5840	0.009	2	119.1512	0.201	15	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:As[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]As[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]As[5]C[6a])(As[5]B[5]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]As[5])(C[6a]C[6a]H)(H){1|As<4>,1|B<4>,1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]As[5]C[6a])(As[5]B[5]CC)(C[6a]C[6a]H){2|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5160	0.206	2	120.5160	0.043	2	120.2788	0.262	12	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:As[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]As[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]As[5]C[6a])(As[5]C[5]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]As[5])(C[6a]C[6a]H)(H){1|As<4>,1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]As[5]C[6a])(As[5]C[5]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9405	0.144	2	120.9405	0.021	2	120.2788	0.262	12	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:As[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]As[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]As[5]C[6a])(As[5]Ga[5]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]As[5])(C[6a]C[6a]H)(H){1|As<4>,1|Ga<4>,1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]As[5]C[6a])(As[5]Ga[5]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,2|I<1>}	H(C[6a]C[5,6a]C[6a])	119.1200	0.000	1	119.1200	0.000	1	120.2788	0.262	12	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:As[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]As[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]As[5]C[6a])(As[5]In[5]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]As[5])(C[6a]C[6a]H)(H){1|As<4>,1|In<4>,1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]As[5]C[6a])(As[5]In[5]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,2|I<1>}	H(C[6a]C[5,6a]C[6a])	119.7430	0.000	1	119.7430	0.000	1	120.2788	0.262	12	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:As[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]As[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]As[5]C[6a])(As[5]Nb[5,5]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]As[5])(C[6a]C[6a]H)(H){1|As<4>,1|Nb<8>,1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]As[5]C[6a])(As[5]Nb[5,5]CC)(C[6a]C[6a]H){2|As<4>,4|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1995	0.215	4	120.1995	0.046	4	120.2788	0.262	12	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:As[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]As[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(As[5]C[5,6a]PdC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]As[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(As[5]C[5,6a]PdC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3855	0.120	2	120.3855	0.014	2	120.2788	0.262	12	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5,5]N[5]O[5]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5,5]N[5]O[5]2)(C[6a]C[6a]H){2|C<3>,3|H<1>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	119.0730	0.000	1	119.0730	0.000	1	119.9631	2.591	18	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[3x5]O[5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<4>,2|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[3x5]O[5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9520	0.000	1	119.7645	0.028	4	119.9631	2.591	18	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[3x5]O[5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<4>,2|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[3x5]O[5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.7560	0.000	1	119.7645	0.028	4	119.9631	2.591	18	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[3x5]O[5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<4>,2|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[3x5]O[5]O)(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	119.6750	0.182	2	119.7645	0.028	4	119.9631	2.591	18	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<4>,2|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2800	3.192	4	120.8075	6.655	6	119.9631	2.591	18	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<4>,2|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5,5]N[5,5]O[5]2)(C[6a]C[6a]H){1|C<3>,2|N<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.8625	0.186	2	120.8075	6.655	6	119.9631	2.591	18	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5,5]C[5,6a]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5,5]C[5,6a]2N[5])(C[6a]C[6a]H){2|H<1>,3|C<4>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.0355	1.795	2	119.0355	3.223	2	119.9631	2.591	18	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5,5]C[5,6a]2P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5,5]C[5,6a]2P[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	119.6870	0.163	2	119.6870	0.026	2	119.9631	2.591	18	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(B[5,5]C[5]O[5]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]N[5])(B[5,5]C[5]O[5]2)(C[6a]C[6a]H){1|C<3>,2|F<1>,2|H<1>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	119.7290	0.000	1	119.7290	0.000	1	119.9631	2.591	18	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(B[5,5]N[5]O[5]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|H<1>,1|N<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]Si[5])(B[5,5]N[5]O[5]2)(C[6a]C[6a]H){1|C<3>,2|H<1>,6|C<4>}	H(C[6a]C[5,6a]C[6a])	119.5930	0.030	2	119.5930	0.001	2	119.9631	2.591	18	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5,6]N[5]O[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5,6]N[5]O[6]2)(C[6a]C[6a]H){1|B<3>,1|B<4>,1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	119.5080	0.000	1	119.4906	0.031	5	119.4906	0.031	5	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5,6]N[5]O[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5,6]N[5]O[6]2)(C[6a]C[6a]H){1|C<3>,2|B<4>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	119.3980	0.123	3	119.4906	0.031	5	119.4906	0.031	5	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5,6]N[5]O[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5,6]N[5]O[6]2)(C[6a]C[6a]H){1|C<3>,4|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	119.7510	0.000	1	119.4906	0.031	5	119.4906	0.031	5	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6,6a]C[6a])(H)	C[5,6a](C[5,6a]C[6,6a]P[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6,6a]C[6a])(H){1|C<4>,1|N<3>,1|P<4>,5|C<3>}	C[5,6a](C[5,6a]C[6,6a]P[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,8|C<3>}	H(C[6a]C[5,6a]C[6a])	118.8820	0.000	1	118.8820	0.000	1	119.6523	0.404	113	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5]N[5,5]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5]N[5,5]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.3005	3.279	4	119.3005	10.750	4	119.6523	0.404	113	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	119.5630	0.000	1	119.5630	0.000	1	119.6523	0.404	113	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]Cl2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]C)(H){2|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]Cl2)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.3900	0.000	1	119.3900	0.000	1	119.6523	0.404	113	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]C[6a]2)(C[6a]C[6a]H){1|F<1>,1|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8995	0.086	2	120.8995	0.007	2	119.6523	0.404	113	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5]N[5,5]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5]N[5,5]C[6a]2)(C[6a]C[6a]H){1|S<2>,2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	119.9130	0.000	1	119.9130	0.000	1	119.6523	0.404	113	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5]N[5,5]OO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<4>,2|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(B[5]N[5,5]OO)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0140	0.000	2	120.0140	0.000	2	119.6523	0.404	113	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]C[5,6]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]C[5,6]C[6a]2)(C[6a]C[6a]H){3|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	119.0000	0.000	1	119.0000	0.000	1	119.6523	0.404	113	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]C[5,6]N[6]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]C[5,6]N[6]C)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.3610	0.000	1	119.3610	0.000	1	119.6523	0.404	113	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.6570	0.000	1	119.6570	0.000	1	119.6523	0.404	113	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	119.4600	0.000	1	119.4827	0.041	9	119.6523	0.404	113	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	119.4855	0.215	8	119.4827	0.041	9	119.6523	0.404	113	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]BrC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]BrC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.6805	0.032	2	119.6805	0.001	2	119.6523	0.404	113	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[5]Br)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[5]Br)(C[6a]C[6a]H){2|H<1>,2|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.6120	0.000	1	119.6120	0.000	1	119.6523	0.404	113	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[5]H)(C[6a]C[6a]H){2|H<1>,2|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.3960	0.105	2	119.3960	0.011	2	119.6523	0.404	113	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[5]O)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.7095	0.090	2	119.7095	0.008	2	119.6523	0.404	113	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	119.3950	0.083	4	119.3950	0.007	4	119.6523	0.404	113	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.4303	0.164	4	119.4303	0.027	4	119.6523	0.404	113	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]HP)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|P<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]HP)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.7325	0.148	2	119.7325	0.022	2	119.6523	0.404	113	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]N[6]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]N[6]C)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.5960	0.000	1	119.5960	0.000	1	119.6523	0.404	113	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]N[6]N)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]N[6]N)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.6642	0.159	10	119.6642	0.025	10	119.6523	0.404	113	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(B[5]Cl[5]Cl2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|Cl<2>,2|Cl<1>,1|B<4>,1|C<3>,1|H<1>}	C[5,6a](C[5,6a]C[6a]B[5])(B[5]Cl[5]Cl2)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.3300	0.000	1	119.3300	0.000	1	119.6523	0.404	113	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(B[5]Cl[5]ClO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|Cl<2>,1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]B[5])(B[5]Cl[5]ClO)(C[6a]C[6a]H){2|Cl<1>,1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.3250	0.000	1	119.3250	0.000	1	119.6523	0.404	113	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(B[5]O[5]Cl2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){2|Cl<1>,1|B<4>,1|C<3>,1|H<1>,1|O<3>}	C[5,6a](C[5,6a]C[6a]B[5])(B[5]O[5]Cl2)(C[6a]C[6a]H){2|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.6735	0.138	2	119.6735	0.019	2	119.6523	0.404	113	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<4>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6]2N[5])(C[6a]C[6a]H){1|C<3>,5|H<1>,7|C<4>}	H(C[6a]C[5,6a]C[6a])	119.4460	0.000	1	119.5655	0.029	2	119.6523	0.404	113	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6]2N[5])(C[6a]C[6a]H){1|C<3>,5|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	119.6850	0.000	1	119.5655	0.029	2	119.6523	0.404	113	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2C[5])(C[6a]C[6a]H){2|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	119.5630	0.000	1	119.4125	0.045	2	119.6523	0.404	113	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2C[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	119.2620	0.000	1	119.4125	0.045	2	119.6523	0.404	113	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H){3|C<4>,3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.6700	0.008	2	119.7887	0.084	27	119.6523	0.404	113	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	119.6390	0.031	2	119.7887	0.084	27	119.6523	0.404	113	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.6546	0.239	7	119.7887	0.084	27	119.6523	0.404	113	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1077	0.092	3	119.7887	0.084	27	119.6523	0.404	113	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H){1|O<2>,3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2440	0.000	1	119.7887	0.084	27	119.6523	0.404	113	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.4755	0.254	2	119.7887	0.084	27	119.6523	0.404	113	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	119.8578	0.301	10	119.7887	0.084	27	119.6523	0.404	113	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2O[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.8460	0.030	2	119.6280	0.066	4	119.6523	0.404	113	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2O[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.3470	0.000	1	119.6280	0.066	4	119.6523	0.404	113	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2O[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.4730	0.000	1	119.6280	0.066	4	119.6523	0.404	113	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]2P[5])(C[6a]C[6a]H){2|C<4>,4|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.3500	0.000	1	119.3500	0.000	1	119.6523	0.404	113	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5]Cl)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5]Cl)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1000	0.000	1	120.0135	0.015	2	119.6523	0.404	113	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5]Cl)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5]Cl)(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.9270	0.000	1	120.0135	0.015	2	119.6523	0.404	113	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]C[6a]N[5]H)(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.7280	0.000	1	119.7280	0.000	1	119.6523	0.404	113	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]N[5]Cl2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<4>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]N[5]Cl2)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0420	0.000	1	120.1678	0.028	5	119.6523	0.404	113	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]N[5]Cl2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<4>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]N[5]Cl2)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1200	0.092	3	120.1678	0.028	5	119.6523	0.404	113	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]N[5]Cl2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){2|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]N[5]Cl2)(C[6a]C[6a]H){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4370	0.000	1	120.1678	0.028	5	119.6523	0.404	113	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(B[5]P[5]Cl2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|P<4>}	C[5,6a](C[5,6a]C[6a]C[5])(B[5]P[5]Cl2)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	119.7980	0.000	1	119.7980	0.000	1	119.6523	0.404	113	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(B[5]C[6a]2N[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2110	0.000	1	120.2110	0.000	1	119.6523	0.404	113	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]2O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]2O[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.2500	0.000	1	119.2500	0.000	1	119.6523	0.404	113	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]O[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|O<2>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]P[5])(B[5]C[6a]O[5]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.5815	0.220	2	119.5815	0.048	2	119.6523	0.404	113	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(B[5]C[6a]2O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(B[5]C[6a]2O[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.2145	0.013	2	119.2145	0.000	2	119.6523	0.404	113	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(B[5]C[5,5]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(B[5]C[5,5]C[6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	119.4055	0.088	2	119.4055	0.008	2	119.6523	0.404	113	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.4643	0.106	3	119.4643	0.011	3	119.6523	0.404	113	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:B[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]N[5a])(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]N[5a])(H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(B[5]N[5,6]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.6200	0.000	1	119.6200	0.000	1	119.6523	0.404	113	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]2)(H){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H){4|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1174	0.258	7	120.1174	0.067	7	120.7313	0.726	57	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]Br)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H){1|Br<1>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7740	0.000	1	120.7740	0.000	1	120.7313	0.726	57	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0895	3.037	2	120.0895	9.224	2	120.7313	0.726	57	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1930	0.203	4	121.1930	0.041	4	120.7313	0.726	57	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9700	0.000	1	121.6850	0.162	2	120.7313	0.726	57	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4000	0.000	1	121.6850	0.162	2	120.7313	0.726	57	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[3,5]C[3,5]O[3]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[3,5]C[3,5]O[3]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2610	0.000	1	121.2610	0.000	1	120.7313	0.726	57	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6350	0.110	3	120.9233	2.346	7	120.7313	0.726	57	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H){2|C<2>,2|H<1>,2|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1395	2.130	4	120.9233	2.346	7	120.7313	0.726	57	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[3,5]C[5,6a]C[3]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5040	0.168	2	121.5040	0.028	2	120.7313	0.726	57	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3,5]2H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3,5]2H)(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4110	0.000	1	120.6205	0.067	4	120.7313	0.726	57	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3,5]2H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3,5]2H)(C[6a]C[6a]H){3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6903	0.266	3	120.6205	0.067	4	120.7313	0.726	57	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,8|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5675	0.285	2	120.5675	0.081	2	120.7313	0.726	57	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2100	0.000	1	120.7041	0.378	23	120.7313	0.726	57	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,7|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7990	0.000	1	120.7041	0.378	23	120.7313	0.726	57	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,7|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5250	0.000	1	120.7041	0.378	23	120.7313	0.726	57	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7350	0.000	1	120.7041	0.378	23	120.7313	0.726	57	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8160	0.000	1	120.7041	0.378	23	120.7313	0.726	57	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2293	1.384	4	120.7041	0.378	23	120.7313	0.726	57	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5378	0.115	4	120.7041	0.378	23	120.7313	0.726	57	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2210	0.000	1	120.7041	0.378	23	120.7313	0.726	57	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|O<1>,1|S<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8530	0.000	1	120.7041	0.378	23	120.7313	0.726	57	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4560	0.000	1	120.7041	0.378	23	120.7313	0.726	57	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4690	0.378	2	120.7041	0.378	23	120.7313	0.726	57	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3955	0.177	2	120.7041	0.378	23	120.7313	0.726	57	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|O<1>,4|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0320	0.042	2	120.7041	0.378	23	120.7313	0.726	57	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){2|Br<1>,1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7190	0.000	1	120.7041	0.378	23	120.7313	0.726	57	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]I)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]I)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|I<1>,1|O<1>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4930	0.000	1	120.4930	0.000	1	120.7313	0.726	57	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[3,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[3,5]C[3]2C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7290	0.000	1	120.7290	0.000	1	120.7313	0.726	57	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[4,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[4,5]C[4,5]2Cl)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]C)(H){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[4,5]C[4,5]2Cl)(C[6a]C[6a]H){2|Cl<1>,1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	120.3430	0.000	1	120.3430	0.000	1	120.6107	0.092	19	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[4,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[4,5]C[5,6a]C[4]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[4,5]C[5,6a]C[4]2)(C[6a]C[6a]H){3|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7675	0.276	2	120.7823	0.102	4	120.6107	0.092	19	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[4,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[4,5]C[5,6a]C[4]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[4,5]C[5,6a]C[4]2)(C[6a]C[6a]H){1|C<2>,1|P<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7970	0.479	2	120.7823	0.102	4	120.6107	0.092	19	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[4,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[4,5]C[4,5]2Cl)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[4,5]C[4,5]2Cl)(C[6a]C[6a]H){2|Cl<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4980	0.000	1	121.4980	0.000	1	120.6107	0.092	19	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[4,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[4,5]C[4]2C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[4,5]C[4]2C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7410	0.000	1	120.7410	0.000	1	120.6107	0.092	19	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[4,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[4,5]C[4,5]2O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[4,5]C[4,5]2O)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5460	0.200	3	120.5780	0.031	4	120.6107	0.092	19	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[4,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[4,5]C[4,5]2O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[4,5]C[4,5]2O)(C[6a]C[6a]H){2|H<1>,2|O<2>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6740	0.000	1	120.5780	0.031	4	120.6107	0.092	19	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[4,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[4,5]C[4,5]2H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[4,5]C[4,5]2H)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4500	0.000	1	120.4765	0.001	2	120.6107	0.092	19	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[4,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[4,5]C[4,5]2H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[4,5]C[4,5]2H)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5030	0.000	1	120.4765	0.001	2	120.6107	0.092	19	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[4,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[4,5]C[4,5]2H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[4,5]C[4,5]2H)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|H<1>,2|O<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.4380	0.085	6	120.4380	0.007	6	120.6107	0.092	19	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,5]C[5,5]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[5,6a]H)(H){3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,5]C[5,5]C[5]C)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0900	0.000	1	120.0900	0.000	1	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[5a]C[6a])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[5a]C[6a])(H){1|H<1>,1|S<2>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|H<1>,8|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3860	0.091	2	120.3860	0.008	2	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]2)(H){1|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|H<1>,8|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3096	0.361	36	120.3096	0.130	36	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|Br<1>,1|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1258	0.305	14	121.1258	0.093	14	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]H){1|Br<1>,2|C<4>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0260	0.056	4	121.0260	0.003	4	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.0630	0.000	1	121.2345	0.044	10	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|N<2>,1|O<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0860	0.000	1	121.2345	0.044	10	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,2|C<2>,2|C<4>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3935	0.415	2	121.2345	0.044	10	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0460	0.000	1	121.2345	0.044	10	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2262	0.108	4	121.2345	0.044	10	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,2|C<4>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4580	0.000	1	121.2345	0.044	10	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9690	0.000	1	121.1178	0.033	5	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.1090	0.000	1	121.1178	0.033	5	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0540	0.139	2	121.1178	0.033	5	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4030	0.000	1	121.1178	0.033	5	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|C<2>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.2500	0.000	1	121.2078	0.087	9	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<2>,1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3190	0.000	1	121.2078	0.087	9	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9700	0.000	1	121.2078	0.087	9	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|N<2>,1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9470	0.000	1	121.2078	0.087	9	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8990	0.000	1	121.2078	0.087	9	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|C<2>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0960	0.000	1	121.2078	0.087	9	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0700	0.173	2	121.2078	0.087	9	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2490	0.000	1	121.2078	0.087	9	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|C<4>,1|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	119.7253	0.224	4	119.8498	0.115	5	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|H<1>,8|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3480	0.000	1	119.8498	0.115	5	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6800	0.000	1	120.6800	0.000	1	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|C<3>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1820	0.099	2	120.1076	0.008	5	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.0780	0.000	1	120.1076	0.008	5	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	120.0130	0.000	1	120.1076	0.008	5	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.0830	0.000	1	120.1076	0.008	5	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4790	0.000	1	120.4790	0.000	1	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<2>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1600	0.000	1	119.9537	0.025	6	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.8140	0.000	1	119.9537	0.025	6	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9920	0.000	1	119.9537	0.025	6	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	119.7650	0.000	1	119.9537	0.025	6	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9955	0.156	2	119.9537	0.025	6	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3790	0.000	1	121.3790	0.000	1	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2590	0.000	1	121.2590	0.000	1	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<2>}	H(C[6a]C[5,6a]C[6a])	121.5720	0.000	1	121.3653	0.030	7	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|C<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4487	0.058	3	121.3653	0.030	7	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3350	0.000	1	121.3653	0.030	7	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.0510	0.000	1	121.3653	0.030	7	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2530	0.000	1	121.3653	0.030	7	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|C<2>,1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9945	0.394	2	121.0975	0.117	21	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,2|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5995	0.919	2	121.0975	0.117	21	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,1|S<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0120	0.000	1	121.0975	0.117	21	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2255	0.262	2	121.0975	0.117	21	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,3|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1230	0.107	2	121.0975	0.117	21	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2940	0.000	1	121.0975	0.117	21	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2720	0.000	1	121.0975	0.117	21	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<1>,2|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1880	0.000	1	121.0975	0.117	21	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1590	0.000	1	121.0975	0.117	21	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.1820	0.000	1	121.0975	0.117	21	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4110	0.000	1	121.0975	0.117	21	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0260	0.000	1	121.0975	0.117	21	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8350	0.000	1	121.0975	0.117	21	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.0437	0.249	3	121.0975	0.117	21	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6530	0.000	1	121.0975	0.117	21	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	123.3190	0.000	1	123.3190	0.000	1	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|O<1>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.9640	0.000	1	121.9640	0.000	1	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,1|S<4>,2|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.8550	0.000	1	121.8550	0.000	1	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<3>,1|F<1>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3860	0.000	1	121.5450	0.051	2	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<3>,1|F<1>,1|O<1>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7040	0.000	1	121.5450	0.051	2	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|N<2>,1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.8085	0.021	2	121.6373	0.022	7	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,1|O<1>,1|O<2>,2|C<2>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.7380	0.000	1	121.6373	0.022	7	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|F<1>,1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.5310	0.000	1	121.6373	0.022	7	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|F<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4330	0.000	1	121.6373	0.022	7	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|F<1>,1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.5910	0.000	1	121.6373	0.022	7	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|F<1>,1|O<1>,2|C<3>,3|H<1>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	121.5510	0.000	1	121.6373	0.022	7	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H){1|C<3>,1|F<1>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.6220	0.000	1	122.6220	0.000	1	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[3x5]O[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<4>,1|O<2>}	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[3x5]O[5]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9170	0.000	1	120.9170	0.000	1	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[3x5]O[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|N<4>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[3x5]O[5]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7720	0.000	1	120.7720	0.000	1	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[3x5]S[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|N<4>,1|S<2>,2|H<1>}	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[3x5]S[5]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6415	0.257	2	120.6415	0.066	2	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[5,5]N[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|N<4>}	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[5,5]N[5]C)(C[6a]C[6a]H){1|N<3>,2|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5350	0.089	2	120.5350	0.008	2	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[5,5]N[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|N<3>,1|N<4>,2|H<1>}	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[5,5]N[5]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	119.3047	1.315	3	120.3187	5.266	4	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[5,5]N[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|N<3>,1|N<4>,2|H<1>}	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,5]N[5,5]N[5]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	123.3610	0.000	1	120.3187	5.266	4	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6840	0.000	1	120.5642	0.066	5	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|O<2>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1230	0.000	1	120.5642	0.066	5	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5570	0.000	1	120.5642	0.066	5	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7000	0.000	1	120.5642	0.066	5	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H){1|C<4>,2|C<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7570	0.000	1	120.5642	0.066	5	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]N[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]N[5]H)(C[6a]C[6a]H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9450	0.000	1	120.8845	0.007	2	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]N[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]N[5]H)(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8240	0.000	1	120.8845	0.007	2	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]O[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]O[5]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6710	0.000	1	120.6710	0.000	1	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]O[5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5,5]C[3x5]O[5]O)(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6290	0.000	1	120.6290	0.000	1	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5,5]N[5,5a]N[5]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|N<2>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5,5]N[5,5a]N[5]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0150	0.000	1	121.0150	0.000	1	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6860	0.130	4	120.6652	0.018	12	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[6a]C[6a]H){2|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6557	0.147	6	120.6652	0.018	12	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6520	0.178	2	120.6652	0.018	12	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1855	0.187	2	120.9460	0.048	8	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6610	0.038	2	120.9460	0.048	8	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2N[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9135	0.029	2	120.9460	0.048	8	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2N[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0240	0.061	2	120.9460	0.048	8	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Br<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6015	0.190	2	120.6641	0.121	101	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|H<1>,8|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8780	0.143	2	120.6641	0.121	101	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6655	0.355	95	120.6641	0.121	101	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4435	0.105	2	120.6641	0.121	101	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8510	0.078	2	120.6938	0.048	6	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]H){1|O<1>,4|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7520	0.296	2	120.6938	0.048	6	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]H){2|C<4>,3|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4785	0.012	2	120.6938	0.048	6	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]2)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8400	0.006	2	120.8400	0.000	2	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|H<1>,1|N<2>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3670	0.266	4	121.3670	0.071	4	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2O)(C[6a]C[6a]H){1|C<3>,4|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5590	0.000	1	120.5840	0.001	2	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5,5]2O)(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6090	0.000	1	120.5840	0.001	2	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,9|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3400	0.000	1	120.7472	0.080	17	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,8|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8920	0.000	1	120.7472	0.080	17	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8950	0.000	1	120.7472	0.080	17	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|O<1>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2830	0.000	1	120.7472	0.080	17	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<3>,2|O<1>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0590	0.000	1	120.7472	0.080	17	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8440	0.000	1	120.7472	0.080	17	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<2>,4|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5475	0.025	2	120.7472	0.080	17	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6910	0.000	1	120.7472	0.080	17	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0920	0.000	1	120.7472	0.080	17	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0980	0.000	1	120.7472	0.080	17	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|N<3>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,7|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7195	0.030	2	120.7472	0.080	17	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,7|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4938	0.181	4	120.7472	0.080	17	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|C<3>,7|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9360	0.001	2	120.9059	0.072	14	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7190	0.494	2	120.9059	0.072	14	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|C<3>,7|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8845	0.144	2	120.9059	0.072	14	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7310	0.000	1	120.9059	0.072	14	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,2|O<2>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0782	0.164	6	120.9059	0.072	14	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4030	0.000	1	120.9059	0.072	14	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5800	0.000	1	120.7078	0.022	5	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6770	0.000	1	120.7078	0.022	5	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7260	0.000	1	120.7078	0.022	5	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,4|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6040	0.000	1	120.7078	0.022	5	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<2>,2|H<1>,2|I<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9520	0.000	1	120.7078	0.022	5	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]N[5]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]N[5]2)(C[6a]C[6a]H){1|Br<1>,1|O<1>,3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2790	0.000	1	120.9918	1.113	6	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]N[5]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]N[5]2)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4070	0.000	1	120.9918	1.113	6	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]N[5]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]N[5]2)(C[6a]C[6a]H){1|Br<1>,1|O<1>,3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4633	0.285	3	120.9918	1.113	6	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]N[5]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]N[5]2)(C[6a]C[6a]H){1|O<1>,4|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	118.8750	0.000	1	120.9918	1.113	6	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H){1|C<3>,3|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6920	0.000	1	121.5930	0.417	5	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2680	0.000	1	121.5930	0.417	5	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	122.3540	0.000	1	121.5930	0.417	5	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H){2|Cl<1>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6500	0.000	1	121.5930	0.417	5	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	122.0010	0.000	1	121.5930	0.417	5	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]S[5]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]S[5]2)(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9070	0.000	1	120.9070	0.000	1	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5,5]2C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5,5]2C)(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0310	0.000	1	120.0310	0.000	1	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5,5]2N)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5,5]2N)(C[6a]C[6a]H){3|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7095	0.177	2	120.7095	0.032	2	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1450	0.000	1	120.6371	0.068	107	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6480	0.000	1	120.6371	0.068	107	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<2>,1|S<4>,2|C<3>,2|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6020	0.261	4	120.6371	0.068	107	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2640	0.000	1	120.6371	0.068	107	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|O<2>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9590	0.000	1	120.6371	0.068	107	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.4360	0.103	2	120.6371	0.068	107	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7370	0.000	1	120.6371	0.068	107	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7440	0.000	1	120.6371	0.068	107	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1020	0.000	1	120.6371	0.068	107	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9830	0.000	1	120.6371	0.068	107	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3467	0.433	7	120.6371	0.068	107	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	120.5860	0.000	1	120.6371	0.068	107	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,2|C<3>,2|H<1>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	120.7270	0.000	1	120.6371	0.068	107	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9240	0.061	2	120.6371	0.068	107	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4980	0.000	1	120.6371	0.068	107	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5505	0.108	2	120.6371	0.068	107	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	120.5627	0.050	4	120.6371	0.068	107	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7310	0.000	1	120.6371	0.068	107	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6360	0.000	1	120.6371	0.068	107	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6780	0.000	1	120.6371	0.068	107	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7410	0.126	2	120.6371	0.068	107	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6620	0.000	1	120.6371	0.068	107	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3970	0.000	1	120.6371	0.068	107	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5710	0.000	1	120.6371	0.068	107	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6750	0.000	1	120.6371	0.068	107	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7473	0.185	3	120.6371	0.068	107	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7813	0.146	3	120.6371	0.068	107	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7935	0.054	2	120.6371	0.068	107	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6040	0.008	2	120.6371	0.068	107	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5850	0.000	1	120.6371	0.068	107	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5113	0.061	4	120.6371	0.068	107	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,5|C<4>}	H(C[6a]C[5,6a]C[6a])	120.4935	0.032	2	120.6371	0.068	107	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6828	0.194	18	120.6371	0.068	107	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	120.5517	0.242	11	120.6371	0.068	107	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8572	0.472	6	120.6371	0.068	107	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9327	0.109	3	120.6371	0.068	107	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5697	0.020	3	120.6371	0.068	107	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0940	0.000	1	120.6371	0.068	107	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8050	0.000	1	120.6371	0.068	107	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7030	0.000	1	120.6371	0.068	107	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8410	0.165	2	120.6371	0.068	107	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5803	0.244	3	120.6371	0.068	107	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3530	0.000	1	120.7394	0.072	51	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9620	0.150	2	120.7394	0.072	51	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0440	0.000	2	120.7394	0.072	51	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5200	0.000	1	120.7394	0.072	51	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|C<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1920	0.000	1	120.7394	0.072	51	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5880	0.000	1	120.7394	0.072	51	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7585	0.575	2	120.7394	0.072	51	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8810	0.000	1	120.7394	0.072	51	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6000	0.000	1	120.7394	0.072	51	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6930	0.000	1	120.7394	0.072	51	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5830	0.233	5	120.7394	0.072	51	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9730	0.750	2	120.7394	0.072	51	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5280	0.000	1	120.7394	0.072	51	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7530	0.000	1	120.7394	0.072	51	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7300	0.000	1	120.7394	0.072	51	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9860	0.168	2	120.7394	0.072	51	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7780	0.000	1	120.7394	0.072	51	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7025	0.251	11	120.7394	0.072	51	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8610	0.000	1	120.7394	0.072	51	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|F<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3700	0.000	1	120.7394	0.072	51	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9950	0.000	1	120.7394	0.072	51	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7183	0.244	3	120.7394	0.072	51	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7270	0.073	3	120.7394	0.072	51	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5720	0.059	2	120.7394	0.072	51	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4810	0.000	1	120.7394	0.072	51	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9075	0.343	2	120.7394	0.072	51	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|S<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2S[5])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|O<1>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2240	0.000	1	120.2240	0.000	1	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,8|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8585	0.265	2	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9140	0.000	1	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){4|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0960	0.327	2	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|C<2>,1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6650	0.000	1	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|C<2>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.0255	0.760	2	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5260	0.000	1	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<2>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5482	0.101	4	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<2>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6040	0.322	2	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|O<1>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7620	0.000	1	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,2|O<1>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6788	0.183	4	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7245	0.001	2	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4597	0.370	6	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6310	0.000	1	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9300	0.298	2	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|S<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4100	0.000	1	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7470	0.503	2	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7910	0.000	1	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5030	0.000	1	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5380	0.000	1	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,2|O<1>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9625	0.009	2	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|I<1>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7120	0.000	1	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6150	0.000	1	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6760	0.000	1	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4350	0.000	1	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7630	0.000	1	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7730	0.000	1	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){2|C<4>,2|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7300	0.078	2	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5535	0.015	2	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2760	0.113	2	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2895	0.037	2	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2760	0.000	1	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9740	0.354	2	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8815	0.240	2	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1960	0.000	1	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6425	0.251	2	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|O<1>,3|H<1>,5|C<4>}	H(C[6a]C[5,6a]C[6a])	120.4860	0.000	1	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|O<1>,4|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7700	0.679	2	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|O<1>,4|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4490	0.000	2	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7570	0.000	1	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|C<2>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8030	0.584	4	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,7|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2420	0.000	1	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<2>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4720	0.000	1	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,1|S<4>,2|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6830	0.000	1	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2200	0.000	1	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6110	0.000	1	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5380	0.000	1	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<2>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5860	0.000	1	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0070	0.000	1	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4057	0.290	4	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<2>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6040	0.000	1	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6490	0.000	1	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0875	1.455	2	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,4|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6430	0.000	1	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2940	0.000	1	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7590	0.000	1	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4663	0.083	4	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5345	0.069	2	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5850	0.129	2	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5180	0.000	1	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,1|O<2>,1|S<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4360	0.000	1	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8920	0.000	1	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,1|O<2>,3|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5120	0.000	1	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,1|S<4>,2|C<2>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0800	0.000	1	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7640	0.000	1	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5042	0.253	4	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6071	0.246	13	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9217	1.026	3	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7210	0.000	1	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3250	0.448	4	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|N<3>,4|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5080	0.000	1	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	119.8020	0.000	1	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,5|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6930	0.000	1	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){4|C<3>,7|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5120	0.000	1	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|N<2>}	H(C[6a]C[5,6a]C[6a])	120.7710	0.000	1	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6240	0.000	1	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3990	0.000	1	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1503	0.330	3	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0130	0.000	1	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9180	0.000	1	120.5683	0.160	141	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]N[5]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]N[5]2)(C[6a]C[6a]H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	120.6800	0.061	2	120.7283	0.050	4	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]N[5]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]N[5]2)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7765	0.371	2	120.7283	0.050	4	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6350	0.000	1	120.1587	4.236	7	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H){1|Pd<4>,1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	119.1570	3.040	3	120.1587	4.236	7	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8390	0.000	1	120.1587	4.236	7	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.0870	0.000	1	120.1587	4.236	7	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.0790	0.000	1	120.1587	4.236	7	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9970	0.000	1	120.9017	0.060	3	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0850	0.000	1	120.9017	0.060	3	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|O<1>,4|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6230	0.000	1	120.9017	0.060	3	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5,5]C[5,5]2H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5,5]C[5,5]2H)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2810	0.000	1	120.2810	0.000	1	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|F<1>,3|H<1>,3|O<1>}	H(C[6a]C[5,6a]C[6a])	120.6080	0.000	1	120.6080	0.000	1	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5,5]C[3x5]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5,5]C[3x5]C[5]C)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6740	0.000	1	120.6740	0.000	1	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5,5]C[3x5]C[5]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4200	0.048	2	120.4200	0.002	2	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5,5]C[3x5]C[5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5,5]C[3x5]C[5]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5667	0.688	3	120.5667	0.473	3	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5,5]C[3x5]N[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5,5]C[3x5]N[5]C)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6970	0.000	1	120.6970	0.000	1	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]I)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]I)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<3>,1|I<1>,1|O<1>,2|H<1>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	120.3070	0.354	2	120.9728	0.874	4	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]I)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]I)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2O[5])(C[6a]C[6a]H){1|C<4>,1|I<1>,1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6385	0.851	2	120.9728	0.874	4	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]I)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]I)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|C<3>,1|I<1>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	120.9800	0.000	1	120.9800	0.000	1	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]N)(H){1|Br<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|H<1>,1|N<3>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2133	0.301	4	120.4909	0.257	31	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]N)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|H<1>,1|N<3>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5320	0.522	27	120.4909	0.257	31	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|I<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|H<1>,1|O<2>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4032	0.720	4	120.9071	0.788	8	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|H<1>,1|O<2>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4110	0.814	4	120.9071	0.788	8	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|Br<1>,1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|N<3>,2|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3390	0.000	1	121.3390	0.000	1	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|C<4>,2|C<3>,3|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,3|O<2>}	H(C[6a]C[5,6a]C[6a])	121.5970	0.000	1	121.5970	0.000	1	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4690	0.000	1	120.6637	0.040	3	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,1|S<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6540	0.000	1	120.6637	0.040	3	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8680	0.000	1	120.6637	0.040	3	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]3)(C[6a]C[6a]H){1|N<3>,1|N<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3230	0.000	1	120.3230	0.000	1	120.6987	0.271	721	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6,6a]O)(H)	C[5,6a](C[5,6a]C[6,6a]C[5,6])(C[5,6]C[5,6]C[6,6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6,6a]O)(H){1|C<3>,1|O<2>,4|C<4>}	C[5,6a](C[5,6a]C[6,6a]C[5,6])(C[5,6]C[5,6]C[6,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	122.0090	0.000	1	122.0090	0.000	1	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a,6a]Cl)(H)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a,6a]Cl)(H){1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|N<2>,2|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8610	0.000	1	120.8610	0.000	1	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5,6]C[5,6]O[6]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a,6a]H)(H){1|C<4>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5,6]C[5,6]O[6]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4150	0.000	1	120.4150	0.000	1	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a,6a]O)(H)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a,6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8200	0.000	1	120.8200	0.000	1	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]H){1|Br<1>,5|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1300	0.112	2	121.1300	0.012	2	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,7|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5160	0.000	1	121.3518	0.046	5	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9910	0.000	1	121.3518	0.046	5	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Br<1>,1|C<2>,1|C<4>,1|H<1>,1|O<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4690	0.000	1	121.3518	0.046	5	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,2|O<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4580	0.000	1	121.3518	0.046	5	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Br<1>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3250	0.000	1	121.3518	0.046	5	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5,6]O[5,6]C[6]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5,6]O[5,6]C[6]H)(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.8050	0.000	1	121.8050	0.000	1	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<2>,3|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.0520	0.000	1	119.9039	0.036	9	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	119.8347	0.051	3	119.9039	0.036	9	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.5790	0.000	1	119.9039	0.036	9	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.0130	0.243	2	119.9039	0.036	9	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,3|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.9870	0.204	2	119.9039	0.036	9	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|C<3>,5|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,3|C<4>,8|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7650	0.000	1	120.7650	0.000	1	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[6]2O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[6]2O[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9915	0.028	2	121.9915	0.001	2	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,1|C<2>,1|C<3>,2|C<4>,7|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0760	0.000	1	121.1521	0.064	15	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<2>,1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8860	0.000	1	121.1521	0.064	15	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,1|N<2>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7820	0.000	1	121.1521	0.064	15	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1810	0.000	1	121.1521	0.064	15	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,2|C<4>,2|H<1>,2|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2160	0.000	1	121.1521	0.064	15	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1140	0.000	1	121.1521	0.064	15	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9555	0.400	2	121.1521	0.064	15	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3630	0.000	1	121.1521	0.064	15	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<2>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3320	0.000	1	121.1521	0.064	15	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){2|Cl<1>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4810	0.000	1	121.1521	0.064	15	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){2|Cl<1>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.1540	0.000	1	121.1521	0.064	15	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,2|O<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.5820	0.000	1	121.1521	0.064	15	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1015	0.252	2	121.1521	0.064	15	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)(H){1|C<3>,1|F<1>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H){1|C<3>,1|F<1>,1|N<3>,2|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6440	0.000	1	121.6440	0.000	1	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|F<1>,2|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7820	0.000	1	121.7002	0.044	4	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|F<1>,1|N<2>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3860	0.000	1	121.7002	0.044	4	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|F<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8350	0.000	1	121.7002	0.044	4	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|F<1>,1|O<1>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.7980	0.000	1	121.7002	0.044	4	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6]C[5,5,6]C[6]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6]C[5,5,6]C[6]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5200	0.000	1	121.5200	0.000	1	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6]O[5,6]C[6]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6]O[5,6]C[6]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9720	0.000	1	120.9720	0.000	1	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5,6]N[5,5a]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5,6]N[5,5a]C[6]2)(C[6a]C[6a]H){1|N<2>,4|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8923	0.183	4	121.1338	0.336	6	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5,6]N[5,5a]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5,6]N[5,5a]C[6]2)(C[6a]C[6a]H){4|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.6170	0.939	2	121.1338	0.336	6	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H){1|Br<1>,3|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7990	0.000	1	120.3932	1.299	5	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,7|H<1>}	H(C[6a]C[5,6a]C[6a])	118.3660	0.000	1	120.3932	1.299	5	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8380	0.000	1	120.3932	1.299	5	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9815	0.175	2	120.3932	1.299	5	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]O[5,6]C[6]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]O[5,6]C[6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8520	0.000	1	120.8520	0.000	1	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]O[5,6]C[6]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]O[5,6]C[6]H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6365	0.279	2	121.0023	0.422	6	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]O[5,6]C[6]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]O[5,6]C[6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9670	0.000	1	121.0023	0.422	6	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]O[5,6]C[6]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]O[5,6]C[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9225	0.250	2	121.0023	0.422	6	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]O[5,6]C[6]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]O[5,6]C[6]H)(C[6a]C[6a]H){3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9290	0.000	1	121.0023	0.422	6	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8675	0.148	2	120.4099	0.553	16	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]H){1|C<4>,4|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5735	1.543	4	120.4099	0.553	16	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]H){2|C<4>,3|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2529	0.200	10	120.4099	0.553	16	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]N[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]N[6]2)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6820	0.134	2	120.8698	0.062	6	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]N[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]N[6]2)(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9638	0.249	4	120.8698	0.062	6	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6a]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6a]C[6]2)(C[6a]C[6a]H){1|O<1>,4|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3220	0.000	1	121.3220	0.000	1	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2C)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5000	0.000	1	120.5000	0.000	1	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2H)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5550	0.000	1	120.9690	1.050	5	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2H)(C[6a]C[6a]H){1|Si<4>,1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3915	1.808	2	120.9690	1.050	5	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7535	0.558	2	120.9690	1.050	5	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8160	0.000	1	120.7897	0.047	3	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5,6]2O)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7765	0.306	2	120.7897	0.047	3	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,8|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7020	0.000	1	120.8097	0.036	13	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|O<1>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6625	0.026	2	120.8097	0.036	13	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){2|C<3>,2|C<4>,7|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5380	0.000	1	120.8097	0.036	13	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,2|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8160	0.000	1	120.8097	0.036	13	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7050	0.000	1	120.8097	0.036	13	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|I<1>,2|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8845	0.152	2	120.8097	0.036	13	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9190	0.000	1	120.8097	0.036	13	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|N<3>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9380	0.247	4	120.8097	0.036	13	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]N[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[5]N[6]2)(C[6a]C[6a]H){2|C<4>,2|H<1>,2|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6240	0.000	1	120.6240	0.000	1	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[6]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[6]2N[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0050	0.000	1	121.0050	0.000	1	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[6]2O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,6]C[6]2O[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,8|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7615	0.192	2	120.7615	0.037	2	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5,6]2C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5,6]2C)(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4890	0.000	1	120.6117	0.016	3	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5,6]2C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5,6]2C)(C[6a]C[6a]H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6080	0.000	1	120.6117	0.016	3	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5,6]2C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5,6]2C)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7380	0.000	1	120.6117	0.016	3	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5,6]2H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5,6]2H)(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3700	0.000	1	120.3700	0.000	1	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|N<4>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){2|C<3>,2|C<4>,9|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4690	0.000	1	120.6233	0.338	66	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2910	0.000	1	120.6233	0.338	66	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8500	0.000	1	120.6233	0.338	66	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6050	0.000	1	120.6233	0.338	66	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5810	0.000	1	120.6233	0.338	66	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6460	0.000	1	120.6233	0.338	66	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8110	0.000	1	120.6233	0.338	66	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2360	0.000	1	120.6233	0.338	66	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5410	0.000	1	120.6233	0.338	66	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6760	0.000	1	120.6233	0.338	66	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6065	0.009	2	120.6233	0.338	66	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	119.4470	1.983	3	120.6233	0.338	66	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0830	0.976	3	120.6233	0.338	66	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8790	0.000	1	120.6233	0.338	66	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){2|C<3>,2|O<1>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0950	0.000	1	120.6233	0.338	66	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){2|C<4>,2|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7223	0.132	4	120.6233	0.338	66	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.8310	0.000	1	120.6233	0.338	66	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,3|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7260	0.000	1	120.6233	0.338	66	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5130	0.000	1	120.6233	0.338	66	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Br<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9480	0.000	1	120.6233	0.338	66	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.0740	0.000	1	120.6233	0.338	66	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<2>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4330	0.000	1	120.6233	0.338	66	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7450	0.000	1	120.6233	0.338	66	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4300	0.000	1	120.6233	0.338	66	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4670	0.000	1	120.6233	0.338	66	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|S<1>,1|S<2>,4|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3560	0.000	1	120.6233	0.338	66	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7010	0.000	1	120.6233	0.338	66	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5160	0.163	2	120.6233	0.338	66	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7360	0.000	1	120.6233	0.338	66	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7970	0.000	1	120.6233	0.338	66	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.9270	0.000	1	120.6233	0.338	66	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7030	0.000	1	120.6233	0.338	66	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3770	0.000	1	120.6233	0.338	66	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5460	0.000	1	120.6233	0.338	66	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5072	0.244	4	120.6233	0.338	66	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9540	0.538	8	120.6233	0.338	66	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9740	0.000	1	120.6233	0.338	66	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9375	0.172	2	120.6233	0.338	66	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<2>,1|O<1>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7890	0.036	3	120.6233	0.338	66	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0110	0.000	1	120.6233	0.338	66	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9330	0.000	1	120.6233	0.338	66	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6990	0.045	2	120.6233	0.338	66	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2070	0.000	1	120.6233	0.338	66	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]O[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]O[6]2)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0270	0.000	1	121.0270	0.000	1	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7210	0.111	3	120.8070	0.020	5	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9360	0.010	2	120.8070	0.020	5	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|B<4>,2|O<2>,4|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4470	0.000	1	120.4470	0.000	1	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5,6]C[5,6]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5,6]C[5,6]C[6]2)(C[6a]C[6a]H){1|C<3>,4|C<4>,7|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5120	0.000	1	120.5120	0.000	1	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5,6]O[5,6]C[6]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5,6]O[5,6]C[6]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9982	0.054	4	120.9982	0.003	4	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|N<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7680	0.100	2	120.7680	0.010	2	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6]C[5,5,6]C[6]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5,6]C[5,5,6]C[6]H)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7027	0.199	3	120.7027	0.040	3	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9830	0.000	1	120.9825	0.000	2	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9820	0.000	1	120.9825	0.000	2	120.7729	0.370	202	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]B[5a]C[6a])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]B[5a]C[6a])(H){1|H<1>,2|C<4>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|B<3>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.9530	0.000	1	119.9530	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5]C[6]O[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5]C[6]O[5]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0915	0.149	4	120.0915	0.022	4	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]H)(H)	C[5,6a](C[5,6a]C[5a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.0140	0.000	1	120.0140	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a]C[6a])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a]C[6a])(H){1|H<1>,1|N<2>,1|S<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5002	0.181	5	120.4253	0.327	20	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a]C[6a])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a]C[6a])(H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3430	0.027	2	120.4253	0.327	20	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a]C[6a])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a]C[6a])(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1657	0.153	3	120.4253	0.327	20	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a]C[6a])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a]C[6a])(H){1|H<1>,1|S<2>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5473	0.873	8	120.4253	0.327	20	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a]C[6a])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a]C[6a])(H){1|N<2>,1|O<2>,1|S<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.8700	0.000	1	120.4253	0.327	20	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a]C[6a])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a]C[6a])(H){1|N<2>,2|C<4>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5730	0.000	1	120.4253	0.327	20	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a]C[6a])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2170	0.000	1	120.2170	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4460	0.000	1	120.4460	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[5]C[5,5]SiH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|Si<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[5]C[5,5]SiH)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2140	0.000	1	120.2140	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,5a])(C[5]C[5,5a]HO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,5a])(C[5]C[5,5a]HO)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6050	0.000	1	120.6050	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,5a])(C[5]C[5,5a]HS)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|H<1>,1|S<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,5a])(C[5]C[5,5a]HS)(C[6a]C[6a]H){1|H<1>,1|S<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5140	0.055	4	120.5140	0.003	4	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){6|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,8|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2285	0.653	2	120.2285	0.426	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5910	0.236	5	120.5910	0.056	5	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4330	0.000	1	120.4330	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]N[5,5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a,6a]N[5,5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2440	0.000	1	120.2440	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|S<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5090	0.000	1	120.5090	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<2>,1|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6550	0.000	1	120.6320	0.002	3	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6630	0.000	1	120.6320	0.002	3	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5780	0.000	1	120.6320	0.002	3	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H){1|H<1>,2|C<4>,2|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2330	0.083	2	119.9791	0.758	49	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.9963	0.911	44	119.9791	0.758	49	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H){3|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.5577	0.096	3	119.9791	0.758	49	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H){1|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,8|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3370	0.000	1	120.3370	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]FF)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H){1|H<1>,2|F<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]FF)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.8150	1.226	2	119.8150	1.503	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.8372	0.217	5	119.8372	0.047	5	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.9370	0.000	1	119.9370	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Au)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Au)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|Au<2>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.5470	0.119	4	119.5470	0.014	4	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]CC)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|S<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0260	0.033	2	121.0260	0.001	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0140	0.000	1	121.0140	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<2>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3570	0.348	2	120.9005	0.697	18	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8434	0.866	16	120.9005	0.697	18	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){1|Br<1>,1|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1275	0.161	2	121.1275	0.026	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8177	0.297	3	120.8177	0.088	3	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7730	0.000	1	120.7730	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]C[5]N)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]C[5]N)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,2|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.3750	0.000	1	121.3750	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1130	0.000	1	121.3440	0.107	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.5750	0.000	1	121.3440	0.107	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]Cl2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){2|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]Cl2)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[6a]C[5,6a]C[6a])	120.9070	0.000	1	120.9070	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]N)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]N)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9015	0.244	2	120.9015	0.060	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1820	0.000	1	121.1135	0.009	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0450	0.000	1	121.1135	0.009	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|S<4>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4965	0.255	2	121.4965	0.065	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]N)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>,3|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]N)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2435	0.011	2	121.2435	0.000	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6a]C[5,6a]C[6a])	121.5850	0.000	1	121.5850	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]CH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3960	0.000	1	121.3960	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3200	0.000	1	120.3200	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9790	0.000	1	120.9790	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0260	0.000	1	121.0463	0.017	3	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0565	0.185	2	121.0463	0.017	3	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]CH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]CH)(C[6a]C[6a]H){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	120.0130	0.000	1	120.0130	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|H<1>,2|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.5450	0.000	1	120.5450	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|Br<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.6246	0.274	10	120.0903	0.145	50	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2417	0.391	19	120.0903	0.145	50	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1412	0.136	4	120.0903	0.145	50	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1831	0.234	17	120.0903	0.145	50	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|N<3>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1460	0.566	2	120.1460	0.320	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|N<2>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.0230	0.000	1	120.0230	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	119.0145	0.054	2	119.0145	0.003	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.0434	0.103	15	120.0529	0.011	16	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){1|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1960	0.000	1	120.0529	0.011	16	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6337	0.977	4	120.5904	0.688	10	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5772	0.910	5	120.5904	0.688	10	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){2|C<4>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4830	0.000	1	120.5904	0.688	10	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SbH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|Sb<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SbH)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.7910	0.151	3	119.7910	0.023	3	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SiH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|Si<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SiH)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.0275	1.111	2	120.0275	1.234	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SnO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|Sn<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SnO)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.9840	0.180	2	119.9840	0.032	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.6230	0.000	1	120.6230	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	119.7310	0.000	1	119.7310	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.0630	0.000	1	120.1465	0.024	4	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3580	0.000	1	120.1465	0.024	4	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){2|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0825	0.110	2	120.1465	0.024	4	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2740	0.000	1	120.0788	0.019	10	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.9145	0.056	2	120.0788	0.019	10	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.0873	0.117	6	120.0788	0.019	10	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1610	0.000	1	120.0788	0.019	10	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4260	0.000	1	121.4260	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1870	0.190	2	119.9927	0.131	3	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	119.6040	0.000	1	119.9927	0.131	3	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CH)(C[6a]C[6a]H){1|H<1>,2|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.0960	0.000	1	120.3863	0.071	3	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CH)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5315	0.121	2	120.3863	0.071	3	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]2C[6])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]2C[6])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.7830	0.000	1	119.7830	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>,3|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[6]2)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,6|C<4>}	H(C[6a]C[5,6a]C[6a])	119.6665	0.131	2	119.6665	0.017	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.0640	0.000	1	120.0640	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	119.8390	0.120	2	119.8390	0.014	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<2>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1920	0.000	1	120.2370	0.004	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2820	0.000	1	120.2370	0.004	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	120.6740	0.180	2	120.6740	0.032	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.0245	0.023	2	120.0245	0.001	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	120.0040	0.000	1	120.1125	0.024	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){2|C<4>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2210	0.000	1	120.1125	0.024	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|S<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.6380	0.000	1	119.6380	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1120	0.129	2	120.1120	0.017	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.9530	0.025	2	119.9530	0.001	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2095	0.097	2	120.2095	0.009	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2207	0.163	4	120.2207	0.026	4	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[5]B[5]Si2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){3|Si<4>,1|B<3>,1|C<3>,1|H<1>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[5]B[5]Si2)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	118.9870	0.000	1	118.9870	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]Ge[5,6]C[6a])(C[5]O[5]Si2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|Ge<4>,2|Si<4>,1|C<3>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]Ge[5,6]C[6a])(C[5]O[5]Si2)(C[6a]C[6a]H){2|C<4>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.3670	0.000	1	119.3670	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]HH)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8090	0.000	1	120.8090	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4000	0.000	1	120.7303	0.082	3	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8955	0.032	2	120.7303	0.082	3	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HN)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HN)(C[6a]C[6a]H){1|H<1>,2|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.1690	0.106	2	120.1690	0.011	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]P[3,5]C[6a])(C[5]C[3,5]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|P<4>,3|C<4>}	C[5,6a](C[5,6a]P[3,5]C[6a])(C[5]C[3,5]CC)(C[6a]C[6a]H){1|Au<2>,1|C<3>,1|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	119.7240	0.000	1	119.7240	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[5])(H){1|H<1>,1|N<2>,1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6130	0.000	1	120.3213	0.120	12	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[5])(H){1|H<1>,1|P<4>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.0250	0.085	2	120.3213	0.120	12	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[5])(H){1|Ir<6>,1|N<3>,1|S<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7885	0.124	2	120.3213	0.120	12	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[5])(H){1|Ir<6>,2|C<4>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6530	0.000	1	120.3213	0.120	12	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[5])(H){1|N<2>,2|C<4>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2256	0.227	5	120.3213	0.120	12	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[5])(H){1|Se<2>,1|N<2>,1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.8350	0.000	1	120.3213	0.120	12	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[6])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[6])(H){1|Ir<6>,1|N<3>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8080	0.083	2	120.6060	0.041	6	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[6])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[6])(H){1|Pt<4>,1|N<3>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4540	0.256	2	120.6060	0.041	6	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[6])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[6])(H){1|Pt<6>,1|N<3>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5560	0.011	2	120.6060	0.041	6	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[6])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C[6])(H){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.9900	0.791	4	119.9900	0.625	4	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|P<4>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.5080	0.000	1	121.5080	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2630	0.000	1	120.9989	0.041	8	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0367	0.179	4	120.9989	0.041	8	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|Cl<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8603	0.168	3	120.9989	0.041	8	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1790	0.079	2	121.1790	0.006	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.8040	0.000	1	121.8040	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]Cl2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){3|Cl<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]Cl2)(C[6a]C[6a]H){2|Cl<1>,1|C<3>,1|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0170	0.000	1	121.0170	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2780	0.231	4	121.2780	0.053	4	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.6920	0.000	1	121.6920	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]Cl2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){2|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]Cl2)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.5730	0.000	1	121.5730	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2340	0.000	1	121.2340	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.7230	0.000	1	121.5800	0.024	3	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.5085	0.128	2	121.5800	0.024	3	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9430	0.000	1	120.9430	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0540	0.000	1	121.2453	0.028	3	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3410	0.027	2	121.2453	0.028	3	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1180	0.000	1	121.1180	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4640	0.000	1	121.2985	0.055	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1330	0.000	1	121.2985	0.055	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7960	0.000	1	120.7960	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9990	0.000	1	120.9990	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){1|F<1>,1|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.6430	0.000	1	121.6430	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|F<1>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1870	0.000	1	121.1870	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]CH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|F<1>,1|H<1>,1|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.7640	0.000	1	121.7640	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]CO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]CO)(C[6a]C[6a]H){1|F<1>,1|H<1>,1|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.7450	0.000	1	121.7450	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|F<1>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.5060	0.000	1	121.5060	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]B[5]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|B<3>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]B[5]C[5]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,1|S<4>,2|H<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	121.2150	0.000	1	121.2150	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H){1|C<3>,1|F<1>,1|O<1>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.4350	0.000	1	121.4350	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,1|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.6540	0.000	1	121.4470	0.086	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H){1|F<1>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2400	0.000	1	121.4470	0.086	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,1|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.7005	0.084	2	121.5697	0.055	3	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|F<1>,1|H<1>,1|O<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3080	0.000	1	121.5697	0.055	3	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,1|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.7710	0.000	1	121.7710	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|Br<1>,1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|N<3>}	H(C[6a]C[5,6a]C[6a])	121.5350	0.000	1	121.5350	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H){1|F<1>,1|H<1>,1|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.7970	0.000	1	121.7970	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]N[5,6a]CO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|H<1>,1|O<2>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]N[5,6a]CO)(C[6a]C[6a]H){1|F<1>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.9560	0.000	1	121.9560	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]As[5]C[6a])(C[5]C[6a]O[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|As<5>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]As[5]C[6a])(C[5]C[6a]O[5]C)(C[6a]C[6a]H){2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	119.9480	0.000	1	119.9480	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5]N[5,5]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|N<4>,3|H<1>}	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5]N[5,5]HH)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6990	0.109	2	120.6990	0.012	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]B[5,5a]C[6a])(C[5]N[4,5]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|N<4>,3|H<1>}	C[5,6a](C[5,6a]B[5,5a]C[6a])(C[5]N[4,5]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	120.7385	0.088	2	120.7385	0.008	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]B[5,6,6]C[6a])(C[5]N[5,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]B[5,6,6]C[6a])(C[5]N[5,6]HH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4320	0.000	1	120.4320	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]B[5,6a]C[6a])(C[5]N[5,6a]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]B[5,6a]C[6a])(C[5]N[5,6a]HH)(C[6a]C[6a]H){1|B<3>,1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5990	0.093	3	120.5990	0.009	3	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]B[5x3,6x5,20x6]C[6a])(C[5]C[5x3,6x5,20x6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<6>,1|C<3>,1|C<6>,3|H<1>}	C[5,6a](C[5,6a]B[5x3,6x5,20x6]C[6a])(C[5]C[5x3,6x5,20x6]HH)(C[6a]C[6a]H){1|C<3>,1|C<6>,2|H<1>,5|B<6>}	H(C[6a]C[5,6a]C[6a])	120.4285	0.026	2	120.4285	0.001	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]C[6a]C)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7780	0.000	1	120.7780	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]C[6a]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]C[6a]H)(C[6a]C[6a]H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6590	0.000	1	120.6590	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]C[6a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]C[6a]O)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	117.1480	0.000	1	118.2685	2.511	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]C[6a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]C[6a]O)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.3890	0.000	1	118.2685	2.511	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1777	1.033	6	121.0780	0.959	7	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[3,5]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4800	0.000	1	121.0780	0.959	7	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5370	0.209	2	120.5370	0.044	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5,5]C[6a])(C[5]C[4,5,5]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[4,5,5]C[6a])(C[5]C[4,5,5]HH)(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.5210	0.079	2	120.5210	0.006	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[4,5]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3330	0.093	2	120.3330	0.009	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1160	0.000	1	120.1160	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,5,6,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4905	0.100	2	120.4905	0.010	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.3750	0.000	1	120.4295	0.006	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	120.4840	0.000	1	120.4295	0.006	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]HO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]HO)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9280	0.000	1	120.9280	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4267	0.390	13	120.4267	0.152	13	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]BrH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]BrH)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7820	0.000	1	120.7820	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7430	0.000	1	120.5925	0.025	11	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5571	0.179	7	120.5925	0.025	11	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|N<2>,1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7450	0.000	1	120.5925	0.025	11	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5650	0.000	2	120.5925	0.025	11	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[5]C)(C[6a]C[6a]H){1|C<3>,4|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3410	0.000	1	120.3410	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3860	0.000	1	120.3860	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0282	0.108	4	120.1713	0.066	7	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5215	0.142	2	120.1713	0.066	7	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.0430	0.000	1	120.1713	0.066	7	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4220	0.687	2	121.4220	0.472	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	119.6450	0.000	1	120.5825	0.475	69	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3320	0.000	1	120.5825	0.475	69	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5668	0.181	6	120.5825	0.475	69	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,3|O<2>}	H(C[6a]C[5,6a]C[6a])	120.4200	0.095	2	120.5825	0.475	69	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5500	0.000	1	120.5825	0.475	69	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3938	0.352	5	120.5825	0.475	69	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6121	0.640	27	120.5825	0.475	69	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4685	0.210	2	120.5825	0.475	69	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,2|N<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4810	0.000	1	120.5825	0.475	69	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,2|O<2>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4695	0.117	2	120.5825	0.475	69	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9480	0.000	1	120.5825	0.475	69	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	124.8360	0.000	1	120.5825	0.475	69	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3593	0.183	3	120.5825	0.475	69	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0110	0.000	1	120.5825	0.475	69	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3900	0.000	1	120.5825	0.475	69	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4030	0.000	1	120.5825	0.475	69	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5810	0.622	2	120.5825	0.475	69	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4700	0.000	1	120.5825	0.475	69	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5057	0.097	3	120.5825	0.475	69	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3740	0.000	1	120.5825	0.475	69	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8640	0.000	1	120.5825	0.475	69	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4410	0.000	1	120.5825	0.475	69	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5198	0.268	4	120.5825	0.475	69	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HN)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HN)(C[6a]C[6a]H){1|Fe<10>,1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6930	0.000	1	120.6930	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4160	0.286	2	120.4855	0.138	15	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3770	0.000	1	120.4855	0.138	15	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6760	0.000	1	120.4855	0.138	15	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4350	0.156	2	120.4855	0.138	15	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7610	0.000	1	120.4855	0.138	15	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5420	0.000	1	120.4855	0.138	15	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H){1|O<2>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4830	0.317	3	120.4855	0.138	15	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7500	0.000	1	120.4855	0.138	15	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6900	0.000	1	120.4855	0.138	15	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HO)(C[6a]C[6a]H){1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1680	1.083	2	120.4855	0.138	15	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){4|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4360	0.000	1	120.4360	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]CH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]CH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9600	0.000	1	120.6613	0.135	6	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]CH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]CH)(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8650	0.000	1	120.6613	0.135	6	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]CH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]CH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4780	0.668	2	120.6613	0.135	6	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]CH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6950	0.000	1	120.6613	0.135	6	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]CH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]CH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4920	0.000	1	120.6613	0.135	6	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5740	0.000	1	120.9487	0.106	3	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1360	0.041	2	120.9487	0.106	3	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a]2)(C[6a]C[6a]H){1|S<2>,2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	119.8010	0.000	1	119.8010	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2120	0.000	1	120.3790	0.025	3	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4625	0.088	2	120.3790	0.025	3	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]HH)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0270	0.000	1	120.3330	0.070	3	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]HH)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4860	0.000	2	120.3330	0.070	3	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]CH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7043	0.082	3	120.7292	0.007	4	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]CH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]CH)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8040	0.000	1	120.7292	0.007	4	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]C[4]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]C[4]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6100	0.000	1	120.6100	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]C[6]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]C[6]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6888	0.187	6	120.6888	0.035	6	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]C[6a]C)(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5185	0.275	2	120.5185	0.076	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]C[6a]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]C[6a]H)(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2280	0.000	1	120.2280	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]HH)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9960	0.087	4	120.8400	0.127	5	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]N[5,5a]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2160	0.000	1	120.8400	0.127	5	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H){1|C<3>,2|H<1>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	120.2470	0.000	1	119.5413	6.937	6	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.3870	0.000	1	119.5413	6.937	6	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	118.6907	3.892	3	119.5413	6.937	6	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5420	0.000	1	119.5413	6.937	6	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6,6]HH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3380	0.000	2	120.3380	0.000	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6,6]HO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6,6]HO)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9170	0.000	1	120.9170	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.4220	0.000	1	120.2026	0.206	5	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3405	0.226	2	120.2026	0.206	5	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4530	0.000	1	120.2026	0.206	5	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4570	0.000	1	120.2026	0.206	5	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7560	0.000	1	120.4418	0.053	10	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3950	0.000	2	120.4418	0.053	10	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H){3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5933	0.067	3	120.4418	0.053	10	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4120	0.298	2	120.4418	0.053	10	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1340	0.137	2	120.4418	0.053	10	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[5]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4945	0.050	2	120.4945	0.003	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6]C)(C[6a]C[6a]H){1|C<3>,4|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1830	1.465	4	120.1830	2.145	4	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4865	0.238	2	120.4865	0.057	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7200	0.081	2	120.7626	0.009	5	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9190	0.000	1	120.7626	0.009	5	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7370	0.000	1	120.7626	0.009	5	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7170	0.000	1	120.7626	0.009	5	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3710	0.000	1	120.2361	1.230	45	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.8470	0.000	1	120.2361	1.230	45	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5540	0.000	1	120.2361	1.230	45	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4868	0.127	4	120.2361	1.230	45	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1936	0.632	5	120.2361	1.230	45	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6035	0.018	2	120.2361	1.230	45	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6665	0.130	4	120.2361	1.230	45	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7790	0.000	1	120.2361	1.230	45	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4867	0.054	3	120.2361	1.230	45	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4620	0.000	1	120.2361	1.230	45	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|Cr<9>,1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	116.0890	0.000	1	120.2361	1.230	45	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6273	0.127	3	120.2361	1.230	45	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2700	0.000	1	120.2361	1.230	45	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3110	0.000	1	120.2361	1.230	45	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4390	0.000	1	120.2361	1.230	45	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|Se<2>,1|C<3>,1|N<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5220	0.000	1	120.2361	1.230	45	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.2805	1.780	2	120.2361	1.230	45	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6720	0.215	2	120.2361	1.230	45	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.5590	0.000	1	120.2361	1.230	45	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9360	0.167	2	120.2361	1.230	45	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2920	0.000	2	120.2361	1.230	45	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6820	0.523	2	120.2361	1.230	45	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7820	0.000	1	120.2361	1.230	45	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5400	0.000	1	120.2361	1.230	45	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	115.2440	0.000	1	120.2361	1.230	45	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8200	0.033	2	120.7678	0.003	6	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7420	0.000	1	120.7678	0.003	6	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7417	0.049	3	120.7678	0.003	6	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HP)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|P<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HP)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8950	0.000	1	120.8950	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]Os2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Os<5>,1|Os<6>,1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]Os2)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1805	0.035	2	120.1805	0.001	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]PdH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Pd<5>,1|C<3>,1|C<4>,1|C<5>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]PdH)(C[6a]C[6a]H){1|Cr<9>,1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3670	0.158	4	120.4118	0.029	5	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]PdH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Pd<6>,1|C<3>,1|C<4>,1|C<5>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]PdH)(C[6a]C[6a]H){1|Cr<9>,1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5910	0.000	1	120.4118	0.029	5	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5230	0.000	1	120.5230	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]CH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]CH)(C[6a]C[6a]H){1|S<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7940	0.000	1	120.7653	0.006	3	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]CH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]CH)(C[6a]C[6a]H){1|S<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7510	0.107	2	120.7653	0.006	3	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]C[3]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]C[3]C)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3790	0.000	1	120.3790	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9510	0.000	2	119.9510	0.000	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]HO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]HO)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4405	0.028	2	121.4405	0.001	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]Si[5,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]Si[5,6]HH)(C[6a]C[6a]H){1|B<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.2560	0.000	1	119.1935	0.008	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]Si[5,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|F<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]Si[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.1310	0.000	1	119.1935	0.008	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.5180	0.000	1	121.5180	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]PdH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|N<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]PdH)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8330	0.000	1	120.8330	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]RhC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Rh<4>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]C[5,6]RhC)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7060	0.000	1	120.7060	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]BH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]BH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4925	0.028	2	120.4925	0.001	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4440	0.944	3	120.5860	1.225	150	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9186	0.644	15	120.5860	1.225	150	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4520	0.137	2	120.5860	1.225	150	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|C<5>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2830	0.000	1	120.5860	1.225	150	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|I<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3710	0.000	1	120.5860	1.225	150	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8225	0.117	4	120.5860	1.225	150	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4740	0.013	2	120.5860	1.225	150	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3740	0.000	1	120.5860	1.225	150	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5503	1.204	120	120.5860	1.225	150	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5810	0.000	1	120.5860	1.225	150	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1110	0.000	1	120.5494	0.474	152	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5461	0.705	143	120.5494	0.474	152	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5950	0.578	2	120.5494	0.474	152	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6853	0.249	6	120.5494	0.474	152	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CN)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CN)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8350	0.000	1	120.8350	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8453	0.361	100	120.8286	0.117	120	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6886	0.200	12	120.8286	0.117	120	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8297	0.230	8	120.8286	0.117	120	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CS)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CS)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9690	0.000	1	120.9690	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4050	0.055	2	120.4050	0.003	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]Br)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]Br)(C[6a]C[6a]H){1|Br<1>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8967	0.105	4	120.8967	0.011	4	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5420	0.000	1	120.4290	0.020	6	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3043	0.046	3	120.4290	0.020	6	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5595	0.012	2	120.4290	0.020	6	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3240	0.133	2	120.3405	0.016	4	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3570	0.170	2	120.3405	0.016	4	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7793	0.225	10	120.7793	0.051	10	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2450	0.136	2	120.6116	0.051	9	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7163	0.088	7	120.6116	0.051	9	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]2)(C[6a]C[6a]H){2|H<1>,2|N<3>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7313	0.226	8	120.7313	0.051	8	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8060	0.000	1	120.8060	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4740	0.072	2	120.4740	0.005	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]O)(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7395	0.046	2	120.7395	0.002	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6]C)(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6860	0.000	1	120.6860	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,2|N<2>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6517	0.193	4	120.5005	0.493	75	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4920	0.720	71	120.5005	0.493	75	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0175	0.135	2	119.8230	4.290	3	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	117.4340	0.000	1	119.8230	4.290	3	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5945	0.190	2	120.5906	0.066	29	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.9700	0.000	1	120.5906	0.066	29	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0360	0.000	1	120.5906	0.066	29	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5972	0.225	25	120.5906	0.066	29	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7060	0.339	155	120.7060	0.115	155	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]S)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]S)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8305	0.344	2	120.8125	0.043	4	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]S)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]S)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7945	0.100	2	120.8125	0.043	4	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]GeC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Ge<4>,1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]GeC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3900	0.230	3	120.3900	0.053	3	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]GeH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Ge<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]GeH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5685	0.153	4	120.5685	0.023	4	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]GeSi)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Ge<4>,1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]GeSi)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4895	0.207	2	120.4895	0.043	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4410	0.000	1	120.5070	0.203	60	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1835	0.120	2	120.5070	0.203	60	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2380	0.000	1	120.5070	0.203	60	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	H(C[6a]C[5,6a]C[6a])	120.9300	0.000	1	120.5070	0.203	60	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2100	0.000	1	120.5070	0.203	60	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4112	0.167	4	120.5070	0.203	60	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5878	0.159	5	120.5070	0.203	60	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2160	0.000	1	120.5070	0.203	60	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5326	0.507	44	120.5070	0.203	60	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HO)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6980	0.000	1	120.7275	0.013	4	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7373	0.135	3	120.7275	0.013	4	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HP)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|P<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HP)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2735	0.636	2	120.6552	0.112	14	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HP)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|P<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HP)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7188	0.255	12	120.6552	0.112	14	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HS)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|S<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HS)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0970	0.000	1	121.0970	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]MnH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Mn<6>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]MnH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2330	1.158	2	120.2330	1.342	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[3]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[3]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7000	0.023	2	120.7000	0.001	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6205	0.128	4	120.7569	0.033	17	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7988	0.180	13	120.7569	0.033	17	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7100	0.191	4	120.7308	0.024	6	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7725	0.053	2	120.7308	0.024	6	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]Rh)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Rh<7>,1|H<1>,1|N<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]Rh)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5855	0.078	2	120.5855	0.006	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[6]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[6]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5080	0.066	2	120.5415	0.041	11	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[6]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[6]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5489	0.225	9	120.5415	0.041	11	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]PP)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|P<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]PP)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7150	0.000	1	120.7530	0.216	9	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]PP)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]PP)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7578	0.496	8	120.7530	0.216	9	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]PdH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Pd<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]PdH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.0790	0.184	2	120.0790	0.034	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]RuP)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Ru<7>,1|H<1>,1|P<5>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]RuP)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.8510	0.460	2	119.8510	0.211	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]Si2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]Si2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2960	0.198	2	120.2960	0.039	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SiC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SiC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5870	0.062	2	120.5870	0.004	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SiH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SiH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5681	0.149	20	120.5681	0.022	20	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SiSn)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|Sn<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SiSn)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2975	0.209	2	120.2975	0.044	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]Si[4]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]Si[4]H)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.3347	0.113	4	120.3347	0.013	4	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]Si[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]Si[5]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5830	0.052	2	120.5830	0.003	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]N[5,6a]CH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]N[5,6a]CH)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9260	0.000	1	120.9807	0.002	3	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]N[5,6a]CH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]N[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0080	0.018	2	120.9807	0.002	3	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]N[5,6a]CO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]N[5,6a]CO)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.5510	0.000	1	121.5510	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.5020	0.191	4	121.5020	0.036	4	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2615	0.183	2	121.2615	0.034	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0847	0.281	4	121.0847	0.079	4	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0860	0.000	1	121.0860	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3676	0.219	5	121.3676	0.048	5	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9040	0.000	1	121.1260	0.099	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3480	0.000	1	121.1260	0.099	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5x3,6x5,20x6]C[6a])(C[5]C[5x3,6x5,20x6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<6>,3|H<1>}	C[5,6a](C[5,6a]C[5x3,6x5,20x6]C[6a])(C[5]C[5x3,6x5,20x6]HH)(C[6a]C[6a]H){1|C<3>,2|H<1>,6|B<6>}	H(C[6a]C[5,6a]C[6a])	120.2560	0.000	1	120.2560	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7500	0.096	4	120.7532	0.007	5	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<3>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7660	0.000	1	120.7532	0.007	5	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<3>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8217	0.174	3	120.8217	0.030	3	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]B[5]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]B[5]C[5]H)(C[6a]C[6a]H){2|C<3>,2|O<2>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4820	0.041	2	120.4820	0.002	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2460	0.000	1	120.5855	0.231	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]HH)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9250	0.000	1	120.5855	0.231	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]HN)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3,5]HN)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7900	0.318	2	120.7900	0.101	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3]C[5]H)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4970	0.000	1	120.8450	0.242	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3]C[5]H)(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1930	0.000	1	120.8450	0.242	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3x5]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[3x5]HH)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7925	0.458	4	120.7925	0.209	4	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]CH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7610	0.000	1	120.7235	0.003	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]CH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6860	0.000	1	120.7235	0.003	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]CO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]CO)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8025	0.011	2	120.8025	0.000	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9900	0.000	1	120.8160	0.213	33	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6360	0.382	2	120.8160	0.213	33	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5855	0.121	2	120.8160	0.213	33	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6667	0.139	3	120.8160	0.213	33	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9090	0.000	1	120.8160	0.213	33	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6720	0.000	1	120.8160	0.213	33	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7901	0.146	15	120.8160	0.213	33	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1660	0.356	2	120.8160	0.213	33	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|O<1>,1|S<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7535	0.057	2	120.8160	0.213	33	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.8683	0.913	3	120.8160	0.213	33	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6190	0.000	1	120.8160	0.213	33	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HO)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8040	0.000	1	120.8626	0.025	10	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HO)(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7680	0.386	2	120.8626	0.025	10	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HO)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8980	0.084	7	120.8626	0.025	10	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.2510	1.776	2	119.2510	3.155	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]CH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]CH)(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7180	0.000	1	120.7428	0.016	4	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]CH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]CH)(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7510	0.154	3	120.7428	0.016	4	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5276	0.128	5	120.6056	0.023	10	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6565	0.083	2	120.6056	0.023	10	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6330	0.209	2	120.6056	0.023	10	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8390	0.000	1	120.6056	0.023	10	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]2Ru)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Ru<6>,1|C<5>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]2Ru)(C[6a]C[6a]H){1|Ru<7>,1|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9890	0.000	1	119.9890	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]BrH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]BrH)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2740	0.000	1	120.9915	0.160	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]BrH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]BrH)(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7090	0.000	1	120.9915	0.160	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]2)(C[6a]C[6a]H){1|C<3>,5|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4170	0.000	1	120.4170	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H){1|Cl<1>,3|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5250	0.000	1	120.2995	0.102	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H){1|Pt<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.0740	0.000	1	120.2995	0.102	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2160	0.000	1	120.3460	0.034	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4760	0.000	1	120.3460	0.034	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,7|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4587	0.186	3	120.4587	0.035	3	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]CrH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cr<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]CrH)(C[6a]C[6a]H){1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2610	0.000	1	120.2610	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]IrP)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Ir<7>,1|H<1>,1|P<5>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]IrP)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2490	0.000	1	120.2490	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]MoC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Mo<10>,1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]MoC)(C[6a]C[6a]H){1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8890	0.000	1	120.8890	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]MoH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Mo<10>,1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]MoH)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8895	0.357	2	120.9015	0.032	11	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]MoH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Mo<10>,1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]MoH)(C[6a]C[6a]H){1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9900	0.205	3	120.9015	0.032	11	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]MoH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Mo<10>,1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]MoH)(C[6a]C[6a]H){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9270	0.000	1	120.9015	0.032	11	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]MoH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Mo<8>,1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]MoH)(C[6a]C[6a]H){1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8480	0.137	5	120.9015	0.032	11	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[4]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<4>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[4]H)(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4750	0.475	2	120.4750	0.226	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0920	0.000	1	121.0920	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5315	1.426	2	120.7421	0.322	8	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H){3|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7400	0.000	1	120.7421	0.322	8	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<4>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|Ru<6>,1|N<4>,2|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8650	0.120	2	120.7421	0.322	8	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6370	0.000	1	120.7421	0.322	8	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0170	0.000	1	120.7421	0.322	8	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7500	0.000	1	120.7421	0.322	8	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[6]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[6]H)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7720	0.000	1	120.7720	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]NiH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Ni<4>,1|C<3>,1|C<4>,1|C<5>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]NiH)(C[6a]C[6a]H){1|Ni<4>,1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1985	0.248	2	120.1985	0.062	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5]H)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9590	0.000	1	120.9640	0.000	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5]H)(C[6a]C[6a]H){1|Fe<10>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9690	0.000	1	120.9640	0.000	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]P[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|P<4>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]P[5]H)(C[6a]C[6a]H){1|Fe<4>,1|C<4>,1|P<4>,2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	119.8425	0.103	2	119.8425	0.011	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]P[6]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|P<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]P[6]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	120.9130	0.000	1	120.9130	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]PdC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Pd<10>,1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]PdC)(C[6a]C[6a]H){1|Pd<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1250	0.149	3	121.1250	0.022	3	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]PdH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Pd<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]PdH)(C[6a]C[6a]H){1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5230	0.000	1	120.3687	0.030	4	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]PdH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Pd<5>,1|C<3>,1|C<4>,1|C<5>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]PdH)(C[6a]C[6a]H){1|Pd<5>,1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3545	0.226	2	120.3687	0.030	4	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]PdH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Pd<7>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]PdH)(C[6a]C[6a]H){1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2430	0.000	1	120.3687	0.030	4	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]RhP)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Rh<7>,1|H<1>,1|P<5>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]RhP)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2780	0.000	2	120.2780	0.000	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]Ru2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Ru<5>,1|Ru<6>,1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]Ru2)(C[6a]C[6a]H){1|C<3>,1|P<5>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2250	0.000	1	120.2250	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]RuC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Ru<10>,1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]RuC)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4890	0.000	1	120.6545	0.043	6	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]RuC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Ru<6>,1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]RuC)(C[6a]C[6a]H){1|Ru<5>,1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6235	0.183	4	120.6545	0.043	6	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]RuC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Ru<9>,1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]RuC)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9440	0.000	1	120.6545	0.043	6	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]RuP)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Ru<6>,1|C<3>,1|H<1>,1|P<5>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]RuP)(C[6a]C[6a]H){1|Ru<5>,1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8230	0.000	1	120.2468	0.103	6	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]RuP)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Ru<6>,1|C<3>,1|H<1>,1|P<5>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]RuP)(C[6a]C[6a]H){1|Ru<5>,1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0340	0.000	1	120.2468	0.103	6	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]RuP)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Ru<8>,1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]RuP)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1560	0.187	4	120.2468	0.103	6	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]SiH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]SiH)(C[6a]C[6a]H){1|C<3>,1|P<4>,1|S<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6040	0.000	1	120.5638	0.020	6	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]SiH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]SiH)(C[6a]C[6a]H){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5420	0.179	4	120.5638	0.020	6	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]SiH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]SiH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6110	0.000	1	120.5638	0.020	6	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]ZrC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Zr<14>,1|C<4>,1|C<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]ZrC)(C[6a]C[6a]H){1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6940	0.000	1	120.6940	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6790	0.110	2	120.6790	0.012	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8510	0.095	2	120.8510	0.009	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]C)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0980	0.000	1	121.0980	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7450	0.000	1	121.1540	0.273	4	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]H)(C[6a]C[6a]H){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4780	0.000	1	121.1540	0.273	4	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2600	0.000	1	121.1540	0.273	4	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]H)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1330	0.000	1	121.1540	0.273	4	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]O[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]O[5]H)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7760	0.000	1	120.9730	0.059	3	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]O[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]O[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0715	0.243	2	120.9730	0.059	3	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6,6]N[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6,6]N[5]C)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6910	0.033	3	120.6910	0.001	3	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]N[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]N[5]H)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|S<4>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1770	0.000	1	121.1740	0.000	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]N[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]N[5]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1710	0.000	1	121.1740	0.000	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]N[5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]N[5]O)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.8475	0.009	2	120.8475	0.000	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]O[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]O[5]H)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3610	0.000	1	121.3610	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3520	0.000	1	120.9170	0.686	7	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){1|C<4>,4|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3710	0.000	1	120.9170	0.686	7	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){2|C<2>,4|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	122.6820	0.000	1	120.9170	0.686	7	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){5|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3310	0.000	1	120.9170	0.686	7	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){1|O<2>,1|P<4>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8943	0.136	3	120.9170	0.686	7	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2N[5])(C[6a]C[6a]H){1|Cu<3>,2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8890	0.000	1	120.8890	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2O[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9692	0.308	6	120.8137	0.738	12	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2O[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6582	1.213	6	120.8137	0.738	12	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2S[5])(C[6a]C[6a]H){1|S<1>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.6670	0.000	1	121.6670	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8370	0.000	1	120.5642	0.034	25	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4390	0.000	1	120.5642	0.034	25	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|Si<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8170	0.000	1	120.5642	0.034	25	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|F<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){4|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4600	0.000	1	120.5642	0.034	25	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4503	0.235	3	120.5642	0.034	25	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){4|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6300	0.123	5	120.5642	0.034	25	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){4|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4490	0.000	1	120.5642	0.034	25	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5290	0.000	1	120.5642	0.034	25	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){3|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7190	0.000	1	120.5642	0.034	25	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8340	0.000	1	120.5642	0.034	25	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4640	0.000	1	120.5642	0.034	25	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){4|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3820	0.176	3	120.5642	0.034	25	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){4|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5820	0.185	5	120.5642	0.034	25	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7090	0.000	1	120.6954	0.097	56	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7720	0.034	5	120.6954	0.097	56	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5100	0.000	1	120.6954	0.097	56	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|F<1>,1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6980	0.000	1	120.6954	0.097	56	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<1>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8570	0.000	1	120.6954	0.097	56	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0270	0.000	1	120.6954	0.097	56	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4910	0.000	1	120.6954	0.097	56	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2087	0.135	3	120.6954	0.097	56	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4390	0.000	1	120.6954	0.097	56	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|B<3>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4770	0.088	2	120.6954	0.097	56	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5555	0.161	2	120.6954	0.097	56	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0100	0.581	2	120.6954	0.097	56	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6740	0.000	1	120.6954	0.097	56	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5246	0.113	5	120.6954	0.097	56	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){3|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6602	0.165	5	120.6954	0.097	56	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){4|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6310	0.000	1	120.6954	0.097	56	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6590	0.000	1	120.6954	0.097	56	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|I<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1760	0.000	1	120.6954	0.097	56	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4300	0.000	1	120.6954	0.097	56	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9044	0.271	19	120.6954	0.097	56	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9650	0.000	1	120.6954	0.097	56	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H){1|I<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5360	0.000	1	120.5360	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7090	0.000	1	120.6632	0.044	9	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6770	0.000	1	120.6632	0.044	9	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7380	0.000	1	120.6632	0.044	9	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|C<2>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6010	0.000	1	120.6632	0.044	9	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3855	0.291	2	120.6632	0.044	9	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9570	0.000	1	120.6632	0.044	9	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7450	0.000	1	120.6632	0.044	9	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7710	0.000	1	120.6632	0.044	9	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]Pd)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Pd<5>,1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]Pd)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5550	0.000	1	120.5550	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]Rh)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Rh<5>,1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]Rh)(C[6a]C[6a]H){3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7480	0.000	1	120.7480	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]S)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|S<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]S)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5130	0.000	1	120.7525	0.115	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]S)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]S)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9920	0.000	1	120.7525	0.115	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2910	0.000	1	121.0122	0.026	5	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9295	0.060	2	121.0122	0.026	5	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9140	0.000	1	121.0122	0.026	5	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9970	0.000	1	121.0122	0.026	5	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H){1|O<1>,1|S<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8000	0.000	1	120.9658	0.093	14	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7790	0.000	1	120.9658	0.093	14	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H){1|S<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6605	0.146	2	120.9658	0.093	14	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H){1|O<1>,1|S<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8450	0.000	1	120.9658	0.093	14	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8660	0.000	1	120.9658	0.093	14	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H){1|O<1>,1|S<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2068	0.098	5	120.9658	0.093	14	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9587	0.541	3	120.9658	0.093	14	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1028	0.202	4	121.2817	0.145	11	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	122.3090	0.000	1	121.2817	0.145	11	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2298	0.160	6	121.2817	0.145	11	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]S)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]S)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9860	0.000	1	120.9860	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3460	0.173	2	121.3460	0.030	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H){3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4610	0.000	1	121.0245	0.156	13	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H){3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4425	0.081	2	121.0245	0.156	13	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9540	0.272	2	121.0245	0.156	13	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2580	0.224	8	121.0245	0.156	13	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]N)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]N)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1290	0.000	1	121.1290	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3260	0.000	1	121.3260	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]S[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]S[5]H)(C[6a]C[6a]H){2|O<1>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3170	0.000	1	120.3170	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]Si[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]Si[5]H)(C[6a]C[6a]H){3|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1250	0.000	1	120.1250	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5,5]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5,5]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7250	0.115	2	120.7250	0.013	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]Cl2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]Cl2)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5020	0.000	1	121.5020	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]DyN)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Dy<18>,1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]DyN)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.4393	0.882	7	121.6149	0.428	31	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]DyN)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Dy<24>,1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]DyN)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3745	0.298	24	121.6149	0.428	31	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]GdN)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Gd<18>,1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]GdN)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.1031	1.723	16	122.1817	2.678	18	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]GdN)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Gd<18>,1|C<3>,1|C<5>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]GdN)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	H(C[6a]C[5,6a]C[6a])	122.8100	0.286	2	122.1817	2.678	18	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]IrN)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Ir<9>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]IrN)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0100	0.000	1	121.0100	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]O[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]O[5]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4810	0.262	2	121.4810	0.068	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]SiH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]SiH)(C[6a]C[6a]H){1|B<4>,1|C<3>,1|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5000	0.139	2	120.5000	0.019	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]TbN)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Tb<18>,1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]TbN)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	122.4455	0.642	8	121.5130	0.426	38	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]TbN)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Tb<24>,1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]TbN)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2643	0.375	30	121.5130	0.426	38	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5a]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5a]C[5]H)(C[6a]C[6a]H){1|F<1>,1|N<2>,2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8630	0.000	1	120.5557	0.096	4	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5a]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5a]C[5]H)(C[6a]C[6a]H){3|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3280	0.263	2	120.5557	0.096	4	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5a]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5a]C[5]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7040	0.000	1	120.5557	0.096	4	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5a]O[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5a]O[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.6230	0.000	1	121.6230	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[6,6]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[6,6]C[5]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|P<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6990	0.000	1	120.6990	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[6]O[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[6]O[5]H)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2498	0.149	4	121.2498	0.022	4	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[6a]O[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[6a]O[5]H)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1130	0.000	1	121.1130	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]O[5]ClH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]O[5]ClH)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8210	0.000	1	121.8210	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]Se[5]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Se<3>,1|C<3>,1|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]Se[5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2002	0.141	4	120.2002	0.020	4	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]Si[5]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]Si[5]C[5]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6300	0.000	1	120.6300	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6360	0.000	1	120.6360	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]CC)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3260	0.000	1	120.3260	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]C[5]H)(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3010	0.000	1	120.3010	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4520	0.000	1	120.5180	0.009	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5840	0.000	1	120.5180	0.009	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5490	0.025	2	120.8233	12.402	53	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2021	4.233	33	120.8233	12.402	53	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	118.0260	4.588	3	120.8233	12.402	53	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6093	0.138	9	120.8233	12.402	53	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5510	0.137	6	120.8233	12.402	53	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8570	0.158	2	120.8320	0.020	4	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CH)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6770	0.000	1	120.8320	0.020	4	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<4>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CH)(C[6a]C[6a]H){1|Al<5>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9370	0.000	1	120.8320	0.020	4	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CO)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5490	0.000	1	120.5490	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	119.9880	0.553	2	119.9880	0.306	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]AlH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Al<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]AlH)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.2425	1.954	2	119.2425	3.817	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]BrC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]BrC)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5860	0.000	1	120.5860	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]BrH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]BrH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7260	0.044	2	120.7260	0.002	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5970	0.000	1	120.5267	0.004	6	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4903	0.020	3	120.5267	0.004	6	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4770	0.000	1	120.5267	0.004	6	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6150	0.000	1	120.5267	0.004	6	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]F)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]F)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7600	0.000	1	120.7600	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H){1|B<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3760	0.000	1	120.5475	0.027	6	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5640	0.000	1	120.5475	0.027	6	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H){1|O<1>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5863	0.183	4	120.5475	0.027	6	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]N)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]N)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6680	0.000	1	120.6680	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0440	0.000	1	120.8847	0.381	3	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H){1|I<1>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4070	0.000	1	120.8847	0.381	3	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2030	0.000	1	120.8847	0.381	3	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]Cl2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]Cl2)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8845	0.084	2	120.7823	0.019	4	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]Cl2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]Cl2)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6800	0.095	2	120.7823	0.019	4	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]ClC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]ClC)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7880	0.000	1	120.7413	0.003	3	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]ClC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]ClC)(C[6a]C[6a]H){1|C<3>,1|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7180	0.045	2	120.7413	0.003	3	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]CoC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Co<9>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]CoC)(C[6a]C[6a]H){1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4360	0.000	1	120.4360	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]GaH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Ga<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]GaH)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0145	0.053	2	121.0145	0.003	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[4]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[4]C)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9660	0.000	1	120.9660	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9380	0.000	1	120.4975	0.388	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.0570	0.000	1	120.4975	0.388	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5]N)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5]N)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8360	0.000	1	120.8360	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]PdC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]PdC)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6470	0.000	1	120.6470	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]PdS)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]PdS)(C[6a]C[6a]H){1|Pd<4>,1|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2900	0.000	1	121.2900	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]YbC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Yb<12>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]YbC)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4910	0.171	2	120.4910	0.029	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]2C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]2C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0880	0.000	1	120.8950	0.074	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]2C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]2C[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7020	0.000	1	120.8950	0.074	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1450	0.000	1	120.5340	0.303	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9230	0.000	1	120.5340	0.303	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9300	0.000	1	120.7236	0.157	12	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6710	0.511	6	120.7236	0.157	12	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5020	0.000	1	120.7236	0.157	12	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8383	0.369	3	120.7236	0.157	12	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7100	0.000	1	120.7236	0.157	12	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.7537	0.893	3	119.7537	0.797	3	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]N)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]N)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8910	0.000	1	120.7250	0.021	3	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]N)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]N)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6420	0.000	2	120.7250	0.021	3	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9430	0.000	1	120.7403	0.047	7	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7317	0.316	3	120.7403	0.047	7	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6745	0.179	2	120.7403	0.047	7	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6950	0.000	1	120.7403	0.047	7	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]S)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]S)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4090	0.000	1	120.4090	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0380	0.000	1	120.6200	0.094	6	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3050	0.175	2	120.6200	0.094	6	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6907	0.159	3	120.6200	0.094	6	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3610	0.000	1	120.3760	0.043	6	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5355	0.148	2	120.3760	0.043	6	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.0460	0.000	1	120.3760	0.043	6	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3890	0.187	2	120.3760	0.043	6	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9480	0.000	1	120.6109	0.176	49	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){4|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9643	0.711	3	120.6109	0.176	49	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9210	0.000	1	120.6109	0.176	49	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9175	0.145	2	120.6109	0.176	49	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6470	0.000	1	120.6109	0.176	49	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6315	0.420	14	120.6109	0.176	49	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9040	0.000	1	120.6109	0.176	49	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<1>,1|S<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4600	0.331	2	120.6109	0.176	49	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6816	0.206	5	120.6109	0.176	49	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4737	0.320	4	120.6109	0.176	49	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){4|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	119.8367	0.592	3	120.6109	0.176	49	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6560	0.000	1	120.6109	0.176	49	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5750	0.520	3	120.6109	0.176	49	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7382	0.073	4	120.6109	0.176	49	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5800	0.000	1	120.6109	0.176	49	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|F<1>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7950	0.000	1	120.6109	0.176	49	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6510	0.000	1	120.6109	0.176	49	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8540	0.000	1	120.6109	0.176	49	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]F)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]F)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1180	0.540	2	121.0720	0.152	3	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]F)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]F)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9800	0.000	1	121.0720	0.152	3	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|S<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6405	0.088	2	120.5611	0.039	8	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4385	0.189	4	120.5611	0.039	8	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8510	0.000	1	120.5611	0.039	8	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6030	0.000	1	120.5611	0.039	8	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7250	0.000	1	120.7379	0.059	12	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7840	0.000	1	120.7379	0.059	12	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8217	0.184	7	120.7379	0.059	12	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7415	0.074	2	120.7379	0.059	12	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1110	0.000	1	120.7379	0.059	12	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6270	0.000	1	120.8059	0.025	8	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7890	0.000	1	120.8059	0.025	8	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6745	0.026	2	120.8059	0.025	8	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7870	0.000	1	120.8059	0.025	8	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8830	0.000	1	120.8059	0.025	8	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0060	0.153	2	120.8059	0.025	8	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]S)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]S)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8975	0.418	2	120.8975	0.175	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]2)(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6695	0.028	2	120.6695	0.001	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4170	0.000	1	120.5290	0.045	6	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7830	0.000	1	120.5290	0.045	6	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5145	0.327	2	120.5290	0.045	6	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6010	0.000	1	120.5290	0.045	6	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3440	0.000	1	120.5290	0.045	6	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]N)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,3|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]N)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4430	0.000	1	120.4430	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]S)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]N[5a]C[5]S)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7890	0.088	2	120.7890	0.008	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]BrH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5600	0.000	1	120.5600	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]CH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6150	0.000	1	120.6630	0.009	4	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]CH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6790	0.107	3	120.6630	0.009	4	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]HN)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]HN)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0710	0.000	1	121.0710	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]HO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]HO)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4690	0.000	1	120.4690	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4770	0.232	2	120.8932	0.775	5	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4130	0.000	1	120.8932	0.775	5	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5495	1.268	2	120.8932	0.775	5	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HO)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6410	0.195	7	120.6410	0.038	7	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5]C[6]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0477	0.178	3	121.0477	0.032	3	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6670	0.000	1	120.6670	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]2N[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9590	0.000	1	120.9590	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6390	0.000	1	120.6390	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5910	0.000	1	120.5000	0.046	3	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2540	0.000	1	120.5000	0.046	3	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6550	0.000	1	120.5000	0.046	3	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0050	0.000	1	120.7052	0.053	5	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5830	0.151	2	120.7052	0.053	5	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4910	0.000	1	120.7052	0.053	5	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8640	0.000	1	120.7052	0.053	5	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]S)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]S)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0350	0.000	1	121.0350	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[5]LuS)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Lu<9>,1|C<3>,1|C<4>,1|H<1>,1|P<4>,1|S<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[5]LuS)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2450	0.000	1	121.2450	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){1|Ru<6>,3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1630	0.000	1	120.1630	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]O[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,1|P<5>,2|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]O[5]C)(C[6a]C[6a]H){2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	119.9340	0.000	1	119.9340	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,1|P<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H){1|C<4>,1|W<6>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4900	0.000	1	120.3047	0.055	3	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|O<2>,1|P<5>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]P[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2120	0.242	2	120.3047	0.055	3	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4420	0.000	1	120.4420	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5]N[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5]N[5]C)(C[6a]C[6a]H){1|C<4>,1|F<1>,2|C<3>,2|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4750	0.000	1	120.4750	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|S<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5]N[5]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<1>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9090	0.000	1	120.9090	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5a]N[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5a]N[5]C)(C[6a]C[6a]H){2|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9120	0.317	2	120.9120	0.100	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]2N[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1770	0.305	2	120.3930	0.187	3	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]2N[5])(C[6a]C[6a]H){2|O<1>,3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8250	0.000	1	120.3930	0.187	3	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3530	0.000	1	120.4823	0.013	3	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5]C)(C[6a]C[6a]H){2|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5470	0.007	2	120.4823	0.013	3	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4190	0.000	1	120.4190	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2390	0.000	1	120.2390	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(C[5]Si[5,5]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|Si<4>,1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(C[5]Si[5,5]CC)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.8150	0.000	1	119.8150	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[3,5]C[6a])(C[5]C[3,5]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]N[3,5]C[6a])(C[5]C[3,5]HH)(C[6a]C[6a]H){2|Si<4>,1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5100	0.031	2	120.5100	0.001	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[3x5]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[3x5]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5090	0.098	2	120.5013	0.005	3	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[3x5]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[3x5]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4860	0.000	1	120.5013	0.005	3	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7940	0.069	3	120.5837	0.180	4	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9530	0.000	1	120.5837	0.180	4	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6900	0.054	2	120.6108	0.006	5	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5740	0.013	2	120.6108	0.006	5	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5260	0.000	1	120.6108	0.006	5	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CO)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7296	0.257	5	120.7296	0.066	5	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]C[6a]C)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.0570	0.000	1	119.0570	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7480	0.000	1	120.7480	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]FF)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]FF)(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0630	0.068	2	120.9710	0.028	3	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]FF)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|F<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]FF)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7870	0.000	1	120.9710	0.028	3	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|P<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2775	0.302	4	120.4066	0.128	14	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3960	0.367	7	120.4066	0.128	14	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1060	0.000	1	120.4066	0.128	14	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4640	0.000	1	120.4066	0.128	14	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2410	0.000	1	120.4066	0.128	14	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]CH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7505	0.234	2	120.7505	0.055	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]CO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]CO)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8210	0.102	2	120.8210	0.010	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7090	0.000	1	120.7090	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]C[6a]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]C[6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4710	0.000	1	120.4710	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6287	0.221	3	120.6287	0.049	3	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6,6]C[6a])(C[5]C[5,3x6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[5,6a](C[5,6a]N[5,6,6]C[6a])(C[5]C[5,3x6]HH)(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.9990	0.000	1	121.9990	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[4,5,6]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[4,5,6]CC)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2947	0.194	4	120.2947	0.038	4	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4507	0.085	3	120.6127	0.068	12	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1670	0.000	1	120.6127	0.068	12	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4240	0.197	2	120.6127	0.068	12	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6295	0.241	2	120.6127	0.068	12	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6720	0.000	1	120.6127	0.068	12	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5505	0.228	2	120.6127	0.068	12	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9530	0.000	1	120.6127	0.068	12	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4450	0.000	1	120.4450	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4760	0.000	1	120.4760	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C[6a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]C[6a]O)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5360	0.000	1	120.5360	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3905	0.053	2	120.6277	0.122	4	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|H<1>,1|O<2>,1|S<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1290	0.000	1	120.6277	0.122	4	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6010	0.000	1	120.6277	0.122	4	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7175	0.508	2	120.7175	0.258	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|N<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3640	0.000	1	120.3640	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]C[5a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]C[5a]O)(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8790	0.000	1	120.8790	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1290	0.000	1	120.1290	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]N[5,6a]CH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]N[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7410	0.000	1	120.7410	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]N[5,6a]CO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]N[5,6a]CO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5670	0.000	1	120.5670	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]Si[5,5]C[6a])(C[5]C[6a]O[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]Si[5,5]C[6a])(C[5]C[6a]O[5]H)(C[6a]C[6a]H){1|C<5>,1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7040	0.000	1	120.4875	0.094	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]Si[5,5]C[6a])(C[5]C[6a]O[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]Si[5,5]C[6a])(C[5]C[6a]O[5]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2710	0.000	1	120.4875	0.094	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|I<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1880	0.000	1	120.8620	0.213	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H){1|I<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|I<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5360	0.000	1	120.8620	0.213	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]I)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){1|H<1>,1|I<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4220	1.130	2	121.4220	1.277	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.8485	0.173	4	119.8485	0.030	4	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4989	0.349	20	120.4989	0.122	20	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	119.4620	0.000	1	119.9120	0.405	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|N<2>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3620	0.000	1	119.9120	0.405	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|N<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.5390	0.020	2	120.2498	0.277	9	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4043	0.154	3	120.2498	0.277	9	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4000	0.617	3	120.2498	0.277	9	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,1|N<4>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7570	0.000	1	120.2498	0.277	9	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4110	0.000	1	120.4110	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2545	0.138	2	121.2545	0.019	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.0790	0.000	1	120.0790	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1520	0.000	1	121.1520	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6730	0.000	1	120.6730	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5])(H){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3680	0.000	1	121.3680	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5])(H){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0150	0.108	3	121.0152	0.076	6	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5])(H){1|Ir<6>,1|N<3>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0153	0.422	3	121.0152	0.076	6	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5])(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1010	0.338	3	121.1010	0.114	3	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5a])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[5a])(H){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6000	0.165	4	120.6000	0.027	4	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	121.0375	0.016	2	121.0375	0.000	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]C[5,5,6]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>,3|O<2>}	H(C[6a]C[5,6a]C[6a])	120.8487	0.207	4	120.8487	0.043	4	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4560	0.000	1	120.4560	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){2|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]C[6a]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6590	0.000	1	120.6590	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	120.9850	0.000	1	120.9850	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HN)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HN)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	120.8210	0.000	1	120.2395	0.676	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HN)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]HN)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	119.6580	0.000	1	120.2395	0.676	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9740	0.000	1	120.9740	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CN)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]CN)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	120.9950	0.000	1	120.9950	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4510	0.000	1	120.5746	0.602	8	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5790	0.074	2	120.5746	0.602	8	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	120.8325	1.982	2	120.5746	0.602	8	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3080	0.000	1	120.5746	0.602	8	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5075	0.226	2	120.5746	0.602	8	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]C[5,6]HO)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0835	0.241	2	121.0835	0.058	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4906	0.122	5	120.4906	0.015	5	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CS)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CS)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8060	0.000	1	120.8060	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7833	0.160	4	120.7833	0.026	4	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	120.7187	0.103	3	120.7187	0.011	3	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5690	0.000	1	121.5690	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4000	0.000	1	120.3527	0.003	3	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]C[6]H)(C[6a]C[6a]H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3290	0.055	2	120.3527	0.003	3	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<2>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|O<2>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1620	0.000	1	120.7652	0.069	6	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|O<2>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0290	0.000	1	120.7652	0.069	6	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<2>,4|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6000	0.060	4	120.7652	0.069	6	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9520	0.000	1	120.6190	0.167	16	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3620	0.000	1	120.6190	0.167	16	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4802	0.100	5	120.6190	0.167	16	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2163	0.669	3	120.6190	0.167	16	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,1|S<4>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7330	0.000	1	120.6190	0.167	16	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8990	0.119	3	120.6190	0.167	16	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7780	0.000	1	120.6190	0.167	16	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3320	0.000	1	120.6190	0.167	16	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]N)(C[6a]C[6a]H){1|H<1>,1|I<1>,1|O<2>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9085	0.220	2	120.9085	0.048	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,1|S<4>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.5490	0.000	1	121.5490	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]H){1|H<1>,2|O<2>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0240	0.000	1	121.0240	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4890	0.014	2	120.4890	0.000	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]2C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5670	0.000	1	120.5670	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9410	0.000	1	120.9410	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,5]HH)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	120.5110	0.023	2	120.5110	0.001	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	120.5655	0.103	2	120.5655	0.011	2	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(H){1|H<1>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[6a]C[5]O)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8530	0.000	1	120.8530	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]P)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]P)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|P<4>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4907	0.121	3	120.4907	0.015	3	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]S)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]S)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[5]C[5,5]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,1|S<4>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8050	0.000	1	120.8050	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Si)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Si)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|Si<4>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.5700	0.000	1	119.5700	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]O[5]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|H<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	122.1780	0.000	1	122.1780	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5]O)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8340	0.000	1	121.8340	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]S)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]S)(H){1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]H){1|N<2>,1|S<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6320	0.000	1	121.6320	0.000	1	120.6392	0.683	2580	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Ge[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Ge[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Ge[5]C[5,6a]Ge[5]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Ge[5])(C[6a]C[6a]H)(H){2|Ge<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Ge[5]C[5,6a]Ge[5]2)(C[6a]C[6a]H){1|Ge<4>,1|Pt<4>,2|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3937	0.393	3	120.3937	0.155	3	120.3447	0.106	6	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Ge[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Ge[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(Ge[5]C[6a]2O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Ge[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(Ge[5]C[6a]2O[5])(C[6a]C[6a]H){1|Cr<6>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6200	0.000	1	120.2957	0.104	3	120.3447	0.106	6	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Ge[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Ge[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(Ge[5]C[6a]2O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Ge[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(Ge[5]C[6a]2O[5])(C[6a]C[6a]H){1|Mo<6>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.9760	0.000	1	120.2957	0.104	3	120.3447	0.106	6	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Ge[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Ge[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(Ge[5]C[6a]2O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Ge[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(Ge[5]C[6a]2O[5])(C[6a]C[6a]H){1|W<6>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2910	0.000	1	120.2957	0.104	3	120.3447	0.106	6	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(N[5]C[5]CdH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]C)(H){1|Cd<4>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5]C[5]CdH)(C[6a]C[6a]H){2|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.1460	0.000	1	121.1460	0.000	1	121.4227	0.884	7	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]C[6a]Pd)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]C[6a]Pd)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	122.1525	1.733	2	122.1525	3.004	2	121.4227	0.884	7	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5]AlC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Al<4>,1|Cl<1>,1|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5]AlC)(C[6a]C[6a]H){1|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7400	0.247	2	120.7400	0.061	2	121.4227	0.884	7	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5]ReH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Re<5>,1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5]ReH)(C[6a]C[6a]H){1|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2420	0.000	1	121.2420	0.000	1	121.4227	0.884	7	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5]Pd)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5]Pd)(C[6a]C[6a]H){3|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7860	0.000	1	121.7860	0.000	1	121.4227	0.884	7	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(P[5]C[5,6]C[6a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a,6a]H)(H){1|O<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(P[5]C[5,6]C[6a]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2990	0.157	2	120.2990	0.025	2	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(P[5]C[5,6a]CO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a,6a]H)(H){1|C<4>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(P[5]C[5,6a]CO)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4202	0.117	8	120.4202	0.014	8	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(P[5]C[5,6a]C[4]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a,6a]H)(H){1|C<4>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(P[5]C[5,6a]C[4]O)(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4755	0.206	2	120.4755	0.042	2	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(P[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a,6a]H)(H){1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(P[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){1|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.0155	0.005	2	120.0155	0.000	2	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]S)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]C)(H){1|H<1>,1|S<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.0620	0.054	2	120.0620	0.003	2	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]SS)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]C)(H){1|H<1>,2|S<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]SS)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.5725	0.142	2	119.5725	0.020	2	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(P[5]Nb[5,5]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]C)(H){1|Nb<5>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]N[5,5]C[6a])(P[5]Nb[5,5]CC)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,1|O<2>,1|P<4>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	118.9890	0.109	2	118.6733	1.213	7	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(P[5]Nb[5,5]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]C)(H){1|Nb<6>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]N[5,5]C[6a])(P[5]Nb[5,5]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|P<4>,2|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.1510	0.102	2	118.6733	1.213	7	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(P[5]Nb[5,5]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]C)(H){1|Nb<6>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]N[5,5]C[6a])(P[5]Nb[5,5]CC)(C[6a]C[6a]H){1|H<1>,1|O<2>,1|P<4>,2|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	119.1235	0.090	2	118.6733	1.213	7	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(P[5]Nb[5,5]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]C)(H){1|Nb<7>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]N[5,5]C[6a])(P[5]Nb[5,5]CC)(C[6a]C[6a]H){4|Cl<1>,1|C<4>,1|H<1>,1|P<4>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	116.1860	0.000	1	118.6733	1.213	7	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]N[5,6]C[6a])(P[5]Nb[5,6]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]C)(H){1|Nb<6>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,6a]N[5,6]C[6a])(P[5]Nb[5,6]CC)(C[6a]C[6a]H){2|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	119.3805	0.480	2	119.3805	0.231	2	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]O[4,5]C[6a])(P[5]In[4,5]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]C)(H){1|In<6>,1|H<1>,1|O<3>,3|C<3>}	C[5,6a](C[5,6a]O[4,5]C[6a])(P[5]In[4,5]C[6a]2)(C[6a]C[6a]H){1|In<6>,2|Cl<1>,1|C<4>,1|H<1>,1|O<2>,1|O<3>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.2650	0.000	1	119.2650	0.000	1	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]C[6])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]C[6])(H){1|Ir<6>,1|N<3>,1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){1|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.0280	0.000	1	120.0280	0.000	1	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]F)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H){1|F<1>,1|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.9030	0.000	1	121.9030	0.000	1	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(P[5]C[5,5]CO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(P[5]C[5,5]CO)(C[6a]C[6a]H){1|Si<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4560	0.000	1	120.4560	0.000	1	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(P[5]C[5,5]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(P[5]C[5,5]C[6a]C)(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9320	0.000	1	120.9320	0.000	1	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(P[5]C[5,5]C[6a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(P[5]C[5,5]C[6a]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5960	0.000	1	120.7078	0.015	4	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(P[5]C[5,5]C[6a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(P[5]C[5,5]C[6a]O)(C[6a]C[6a]H){1|P<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8770	0.000	1	120.7078	0.015	4	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(P[5]C[5,5]C[6a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(P[5]C[5,5]C[6a]O)(C[6a]C[6a]H){1|Si<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6790	0.030	2	120.7078	0.015	4	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(P[5]C[5,5]C[6a]Se)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|Se<1>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(P[5]C[5,5]C[6a]Se)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5320	0.000	1	120.5320	0.000	1	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(P[5]C[5,5a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(P[5]C[5,5a]C[6a]C)(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8080	0.000	1	120.8080	0.000	1	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(P[5]C[5,5a]C[6a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(P[5]C[5,5a]C[6a]O)(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6347	0.077	3	120.6347	0.006	3	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(P[5]C[6a]C[5]B)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(P[5]C[6a]C[5]B)(C[6a]C[6a]H){4|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4380	0.000	1	120.4380	0.000	1	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]BC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]BC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6000	0.997	2	120.6000	0.994	2	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4713	0.190	3	120.4713	0.036	3	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]CO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]CO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6875	0.233	2	120.6875	0.054	2	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[5]S)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[5]S)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6330	0.065	4	120.6330	0.004	4	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]B)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]B)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6275	0.098	10	120.6275	0.010	10	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8727	0.134	4	120.7470	0.049	6	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4955	0.006	2	120.7470	0.049	6	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]Ir)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|Ir<8>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]Ir)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7320	0.106	2	120.7320	0.011	2	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]N)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]N)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4565	0.177	2	120.4565	0.032	2	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8173	0.169	3	120.0492	1.804	11	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.6903	1.595	7	120.0492	1.804	11	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2570	0.000	1	120.0492	1.804	11	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]Pt)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|Pt<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]Pt)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6330	0.144	4	120.6330	0.021	4	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]S)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]S)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4700	0.000	1	120.4700	0.000	1	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]Se)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|Se<1>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]Se)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7925	0.282	2	120.7925	0.080	2	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]MoC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|Mo<6>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]MoC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4010	0.017	2	120.4010	0.000	2	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]OO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]OO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6107	0.236	4	120.6107	0.056	4	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]RuC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|Ru<6>,1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]RuC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5225	0.039	2	120.5225	0.002	2	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]SS)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,2|S<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]SS)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2150	0.088	2	120.2150	0.008	2	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(P[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(P[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){1|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3560	0.000	1	121.3560	0.000	1	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[5]LuC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|Lu<9>,1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[5]LuC)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|S<3>}	H(C[6a]C[5,6a]C[6a])	119.3150	0.000	1	119.3150	0.000	1	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[5]Mn2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){2|Mn<6>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[5]Mn2)(C[6a]C[6a]H){1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4930	0.000	1	120.4930	0.000	1	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]2C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]2C[5])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0470	0.000	1	121.0950	0.043	3	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]2C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]2C[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1190	0.287	2	121.0950	0.043	3	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]2N[5])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4320	0.000	1	121.4320	0.000	1	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]B)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]B)(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5460	0.000	1	120.5460	0.000	1	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9170	0.055	4	120.9170	0.003	4	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]Mn)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|Mn<6>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]Mn)(C[6a]C[6a]H){1|Mn<6>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2830	0.000	1	121.2830	0.000	1	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H){4|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4370	0.000	1	120.5241	0.063	18	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|F<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6590	0.000	1	120.5241	0.063	18	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H){3|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3845	0.013	2	120.5241	0.063	18	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H){1|C<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5140	0.141	2	120.5241	0.063	18	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5110	0.000	1	120.5241	0.063	18	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H){1|P<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7630	0.000	1	120.5241	0.063	18	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5440	0.171	5	120.5241	0.063	18	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6980	0.170	4	120.5241	0.063	18	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|O<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.7540	0.000	1	120.5241	0.063	18	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]S)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]S)(C[6a]C[6a]H){3|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4340	0.000	1	120.5975	0.053	2	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]S)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]S)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7610	0.000	1	120.5975	0.053	2	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]W)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|W<6>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]W)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6110	0.000	1	120.5580	0.003	3	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]W)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|W<6>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]W)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5315	0.052	2	120.5580	0.003	3	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]N[5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]N[5]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5820	0.000	1	120.5540	0.002	2	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]N[5]O)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]N[5]O)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5260	0.000	1	120.5540	0.002	2	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]N[5]Pd)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]N[5]Pd)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2550	0.000	1	121.2550	0.000	1	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]O[5]B)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]O[5]B)(C[6a]C[6a]H){3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6280	0.830	2	120.6280	0.689	2	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]O[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]O[5]C)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3855	0.019	2	119.9337	0.613	3	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]O[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]O[5]C)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.0300	0.000	1	119.9337	0.613	3	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]N[5]Pd2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){2|Pd<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]N[5]Pd2)(C[6a]C[6a]H){2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2250	0.000	1	120.2250	0.000	1	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Ge[5])(P[5]C[6a]2Ge[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|Ge<2>,1|Ge<3>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]Ge[5])(P[5]C[6a]2Ge[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2350	0.000	1	120.2350	0.000	1	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(P[5]C[3x6]2C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(P[5]C[3x6]2C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|H<1>,7|C<4>}	H(C[6a]C[5,6a]C[6a])	120.6870	0.000	1	120.6870	0.000	1	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(P[5]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]N[5])(P[5]C[5]C[6]2)(C[6a]C[6a]H){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6540	0.000	1	120.6540	0.000	1	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(P[5]C[5]Cu2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){2|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(P[5]C[5]Cu2)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4716	0.117	5	120.4716	0.014	5	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(P[5]C[5]RhO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|Rh<6>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[5,6a](C[5,6a]C[6a]N[5])(P[5]C[5]RhO)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|P<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1100	0.000	1	120.1100	0.000	1	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(P[5]C[6a]2B[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(P[5]C[6a]2B[5])(C[6a]C[6a]H){1|Br<1>,2|C<4>,3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3530	0.000	1	120.6950	0.234	2	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(P[5]C[6a]2B[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(P[5]C[6a]2B[5])(C[6a]C[6a]H){2|C<4>,4|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0370	0.000	1	120.6950	0.234	2	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]O[5])(P[5]C[5]RhC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|Rh<5>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(P[5]C[5]RhC)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0795	0.433	2	120.0795	0.188	2	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(P[5]C[6a]2C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(P[5]C[6a]2C[5])(C[6a]C[6a]H){4|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5820	0.236	2	120.5820	0.056	2	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(P[5]C[6a]2Ga[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|Ga<4>,1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(P[5]C[6a]2Ga[5])(C[6a]C[6a]H){2|Cl<1>,2|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	120.0415	0.098	2	120.0415	0.010	2	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(P[5]C[6a]2S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(P[5]C[6a]2S[5])(C[6a]C[6a]H){2|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9575	0.750	4	120.9575	0.562	4	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(P[5]C[6a]C[5]S)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,1|S<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(P[5]C[6a]C[5]S)(C[6a]C[6a]H){1|S<1>,4|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3960	0.033	2	120.3960	0.001	2	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(P[5]Ga[5,5]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|Ga<6>,1|C<3>,1|H<1>,1|P<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(P[5]Ga[5,5]CC)(C[6a]C[6a]H){2|Br<1>,1|C<3>,2|C<4>,2|H<1>,2|P<4>}	H(C[6a]C[5,6a]C[6a])	119.6805	0.095	2	119.7320	0.007	4	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(P[5]Ga[5,5]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|Ga<6>,1|C<3>,1|H<1>,1|P<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(P[5]Ga[5,5]CC)(C[6a]C[6a]H){2|Cl<1>,1|C<3>,2|C<4>,2|H<1>,2|P<4>}	H(C[6a]C[5,6a]C[6a])	119.7835	0.022	2	119.7320	0.007	4	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(P[5]Ge[5]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|Ge<2>,1|C<3>,1|H<1>,1|P<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(P[5]Ge[5]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9754	0.155	15	119.9757	0.020	19	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(P[5]Ge[5]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|Ge<3>,1|C<3>,1|H<1>,1|P<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(P[5]Ge[5]CC)(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9975	0.008	2	119.9757	0.020	19	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(P[5]Ge[5]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|Ge<6>,1|C<3>,1|H<1>,1|P<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(P[5]Ge[5]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,4|F<1>}	H(C[6a]C[5,6a]C[6a])	119.9565	0.158	2	119.9757	0.020	19	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(P[5]In[5]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|In<4>,1|C<3>,1|H<1>,1|P<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(P[5]In[5]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,2|I<1>}	H(C[6a]C[5,6a]C[6a])	119.2730	0.000	1	120.1050	1.384	2	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(P[5]In[5]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|In<4>,1|C<3>,1|H<1>,1|P<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(P[5]In[5]CC)(C[6a]C[6a]H){2|Br<1>,1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9370	0.000	1	120.1050	1.384	2	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(P[5]Nb[5,5]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|Nb<8>,1|C<3>,1|H<1>,1|P<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(P[5]Nb[5,5]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,2|P<4>,4|F<1>}	H(C[6a]C[5,6a]C[6a])	119.8657	0.364	4	119.9606	0.144	5	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(P[5]Nb[5,5]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|Nb<8>,1|C<3>,1|H<1>,1|P<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(P[5]Nb[5,5]CC)(C[6a]C[6a]H){4|Cl<1>,1|C<3>,2|C<4>,2|H<1>,2|P<4>}	H(C[6a]C[5,6a]C[6a])	120.3400	0.000	1	119.9606	0.144	5	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]P[5])(P[5]Si[5]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|Si<6>,1|C<3>,1|H<1>,1|P<4>,2|C<4>}	C[5,6a](C[5,6a]C[6a]P[5])(P[5]Si[5]CC)(C[6a]C[6a]H){4|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1115	0.005	2	120.1115	0.000	2	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(P[5]C[6a]2C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(P[5]C[6a]2C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.2260	0.000	1	119.2260	0.000	1	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(P[5]C[6a]2N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(P[5]C[6a]2N[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8470	0.000	1	120.8470	0.000	1	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]Ge[4,5]C[6a])(P[5]Ge[4,5]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|Ge<3>,1|Ge<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]Ge[4,5]C[6a])(P[5]Ge[4,5]C[6a]2)(C[6a]C[6a]H){1|P<2>,2|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	119.2750	0.694	2	119.2750	0.482	2	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(P[5]C[3x6]2C[5,5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]N[5,5]C[6a])(P[5]C[3x6]2C[5,5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>,7|C<4>}	H(C[6a]C[5,6a]C[6a])	120.4430	0.000	1	120.4430	0.000	1	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5]C[6a])(P[5]P[5,5]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<3>,3|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(P[5]P[5,5]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6850	0.000	1	120.6850	0.000	1	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]N[5,5a]C[6a])(P[5]C[5,5a]CO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]N[5,5a]C[6a])(P[5]C[5,5a]CO)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4500	0.000	1	120.4500	0.000	1	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]O[4,4,5]C[6a])(P[5]In[3x4,5]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|In<6>,1|H<1>,1|O<3>,3|C<3>}	C[5,6a](C[5,6a]O[4,4,5]C[6a])(P[5]In[3x4,5]C[6a]2)(C[6a]C[6a]H){1|In<6>,2|Cl<1>,2|H<1>,2|O<3>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.0090	0.000	1	119.0090	0.000	1	120.3301	0.441	209	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a,6a]H)(H){2|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3380	0.253	2	121.3380	0.064	2	121.1302	0.298	122	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]C[5,6]OO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]C[5,6]OO)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4990	0.048	2	120.4990	0.002	2	121.1302	0.298	122	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]2)(H){1|H<1>,2|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4145	0.298	2	120.4145	0.089	2	121.1302	0.298	122	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H){1|H<1>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0155	0.194	2	120.9616	0.684	10	121.1302	0.298	122	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H){1|H<1>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H){1|C<2>,1|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.7888	0.371	4	120.9616	0.684	10	121.1302	0.298	122	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]C)(H){1|N<3>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1075	0.123	4	120.9616	0.684	10	121.1302	0.298	122	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5,6]C[6a])(S[5]N[3,5]OO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[5,6a]C[3,5,6]C[6a])(S[5]N[3,5]OO)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4110	0.000	1	121.4110	0.000	1	121.1302	0.298	122	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(S[5]N[3,5]OO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[5,6a]C[3,5]C[6a])(S[5]N[3,5]OO)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3600	0.000	1	121.3118	0.059	5	121.1302	0.298	122	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(S[5]N[3,5]OO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[5,6a]C[3,5]C[6a])(S[5]N[3,5]OO)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5810	0.000	1	121.3118	0.059	5	121.1302	0.298	122	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(S[5]N[3,5]OO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[5,6a]C[3,5]C[6a])(S[5]N[3,5]OO)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4150	0.000	1	121.3118	0.059	5	121.1302	0.298	122	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(S[5]N[3,5]OO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|O<1>}	C[5,6a](C[5,6a]C[3,5]C[6a])(S[5]N[3,5]OO)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1015	0.252	2	121.3118	0.059	5	121.1302	0.298	122	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[3x5,6]C[6a])(S[5]N[5,5,6]OO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[5,6a]C[3x5,6]C[6a])(S[5]N[5,5,6]OO)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3800	0.000	1	121.3800	0.000	1	121.1302	0.298	122	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[5,6a]C[4,5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.6350	0.000	1	121.6350	0.000	1	121.1302	0.298	122	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(S[5]C[4,5]OO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[5,6a](C[5,6a]C[4,5]C[6a])(S[5]C[4,5]OO)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3338	0.178	5	121.3338	0.032	5	121.1302	0.298	122	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[4,5]C[6a])(S[5]N[4,5]OO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[5,6a]C[4,5]C[6a])(S[5]N[4,5]OO)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2980	0.116	3	121.2980	0.013	3	121.1302	0.298	122	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]NO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]NO)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	118.0390	0.000	1	118.0390	0.000	1	121.1302	0.298	122	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]OO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]OO)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5290	0.000	1	121.3107	0.013	6	121.1302	0.298	122	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]OO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,2|O<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]OO)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2350	0.000	1	121.3107	0.013	6	121.1302	0.298	122	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]OO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]OO)(C[6a]C[6a]H){1|P<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2160	0.000	1	121.3107	0.013	6	121.1302	0.298	122	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]OO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]OO)(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2820	0.000	1	121.3107	0.013	6	121.1302	0.298	122	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]OO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]OO)(C[6a]C[6a]H){1|Si<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3380	0.000	1	121.3107	0.013	6	121.1302	0.298	122	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]OO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]OO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2640	0.000	1	121.3107	0.013	6	121.1302	0.298	122	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]N[5,5]OO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]N[5,5]OO)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2260	0.000	1	121.3215	0.022	11	121.1302	0.298	122	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]N[5,5]OO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]N[5,5]OO)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.3740	0.000	1	121.3215	0.022	11	121.1302	0.298	122	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]N[5,5]OO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]N[5,5]OO)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3470	0.177	4	121.3215	0.022	11	121.1302	0.298	122	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]N[5,5]OO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]N[5,5]OO)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1995	0.070	2	121.3215	0.022	11	121.1302	0.298	122	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]N[5,5]OO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|O<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]N[5,5]OO)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3735	0.250	2	121.3215	0.022	11	121.1302	0.298	122	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]N[5,5]OO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]N[5,5]OO)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4020	0.000	1	121.3215	0.022	11	121.1302	0.298	122	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(S[5]C[5,5a]OO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(S[5]C[5,5a]OO)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1230	0.000	1	121.1590	0.027	3	121.1302	0.298	122	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(S[5]C[5,5a]OO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(S[5]C[5,5a]OO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1770	0.226	2	121.1590	0.027	3	121.1302	0.298	122	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(S[5]N[5,5a]OO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(S[5]N[5,5a]OO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3860	0.074	2	121.3860	0.005	2	121.1302	0.298	122	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]C[5,6]OO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]C[5,6]OO)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2715	0.286	2	121.1185	0.050	6	121.1302	0.298	122	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]C[5,6]OO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<4>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]C[5,6]OO)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7750	0.000	1	121.1185	0.050	6	121.1302	0.298	122	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]C[5,6]OO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|Cl<1>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]C[5,6]OO)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0750	0.000	1	121.1185	0.050	6	121.1302	0.298	122	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]C[5,6]OO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]C[5,6]OO)(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1590	0.004	2	121.1185	0.050	6	121.1302	0.298	122	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7330	0.000	1	121.2775	0.157	19	121.1302	0.298	122	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.6330	0.000	1	121.2775	0.157	19	121.1302	0.298	122	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5210	0.000	1	121.2775	0.157	19	121.1302	0.298	122	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2900	0.052	2	121.2775	0.157	19	121.1302	0.298	122	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|O<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.0490	0.000	1	121.2775	0.157	19	121.1302	0.298	122	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|O<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0780	0.000	1	121.2775	0.157	19	121.1302	0.298	122	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2990	0.000	1	121.2775	0.157	19	121.1302	0.298	122	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1558	0.676	5	121.2775	0.157	19	121.1302	0.298	122	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(S[5]N[5,6]OO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2668	0.296	6	121.2775	0.157	19	121.1302	0.298	122	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]FO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]FO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.6855	0.380	4	121.6855	0.145	4	121.1302	0.298	122	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]NO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]NO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0460	0.389	3	121.0460	0.151	3	121.1302	0.298	122	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2302	0.229	12	121.0460	0.090	27	121.1302	0.298	122	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|N<3>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8159	0.305	8	121.0460	0.090	27	121.1302	0.298	122	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){2|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9931	0.209	7	121.0460	0.090	27	121.1302	0.298	122	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(S[5]C[5,5a]OO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N)(H){1|H<1>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(S[5]C[5,5a]OO)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0410	0.322	2	121.0410	0.104	2	121.1302	0.298	122	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N)(H){1|H<1>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.0320	0.000	1	119.9878	0.001	4	121.1302	0.298	122	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N)(H){1|H<1>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5]C[5,6a]OO)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.9730	0.019	3	119.9878	0.001	4	121.1302	0.298	122	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]OO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]O)(H){1|H<1>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(S[5]C[5,5]OO)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	122.1950	0.098	2	122.1950	0.010	2	121.1302	0.298	122	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5,5]C[5,6a]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5,5])(C[6a]C[6a]Br)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5,5]C[5,6a]3)(C[6a]C[6a]H){1|Br<1>,1|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5042	0.078	4	120.5042	0.006	4	119.6788	0.306	20	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5,5]C[5,6a]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5,5])(C[6a]C[6a]H)(H){1|Br<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5,5]C[5,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	119.7025	0.085	4	119.4724	0.159	16	119.6788	0.306	20	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5,5]C[5,6a]3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5,5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5,5]C[5,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	119.3958	0.435	12	119.4724	0.159	16	119.6788	0.306	20	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a,6a]H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a,6a]H)(H){2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.6475	0.704	2	119.6475	0.495	2	119.5856	0.535	142	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]2)(H){1|Si<4>,1|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.0610	0.000	1	119.0610	0.000	1	119.5856	0.535	142	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]B[5])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]B[5])(H){1|H<1>,2|C<4>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H){1|B<3>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	118.9620	0.000	1	118.9620	0.000	1	119.5856	0.535	142	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]C)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]CC)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[5,6a]C[6a])	119.7830	0.000	1	119.7830	0.000	1	119.5856	0.535	142	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]C)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.2220	0.000	1	119.2220	0.000	1	119.5856	0.535	142	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]O[5])(Si[5]C[5,5]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(Si[5]C[5,5]CC)(C[6a]C[6a]H){2|C<4>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.7260	0.000	1	119.7260	0.000	1	119.5856	0.535	142	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]C)(H){1|Si<4>,1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.7510	0.000	1	119.6243	0.012	3	119.5856	0.535	142	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]C)(H){1|Si<4>,1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.5610	0.025	2	119.6243	0.012	3	119.5856	0.535	142	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]C)(H){1|Si<4>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	119.6230	0.018	3	119.4983	0.060	6	119.5856	0.535	142	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]C)(H){1|Si<4>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	119.7290	0.000	1	119.4983	0.060	6	119.5856	0.535	142	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]C)(H){1|Si<4>,1|C<3>,1|O<2>,1|S<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	119.1960	0.123	2	119.4983	0.060	6	119.5856	0.535	142	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]Si[5]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]C)(H){2|Si<4>,1|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]Si[5]CC)(C[6a]C[6a]H){1|C<3>,1|H<1>,5|C<4>}	H(C[6a]C[5,6a]C[6a])	118.4855	0.163	4	118.4958	0.025	8	119.5856	0.535	142	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]Si[5]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]C)(H){2|Si<4>,1|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]Si[5]CC)(C[6a]C[6a]H){1|H<1>,2|C<3>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	118.6510	0.047	2	118.4958	0.025	8	119.5856	0.535	142	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]Si[5]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]C)(H){2|Si<4>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]Si[5]CC)(C[6a]C[6a]H){1|C<3>,1|H<1>,5|C<4>}	H(C[6a]C[5,6a]C[6a])	118.3610	0.075	2	118.4958	0.025	8	119.5856	0.535	142	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]B[5,5]C[6a])(Si[5]O[5]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]B[5,5]C[6a])(Si[5]O[5]CC)(C[6a]C[6a]H){1|C<3>,1|N<4>,1|O<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.7755	0.112	2	119.7755	0.013	2	119.5856	0.535	142	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,3x6]C[6a])(Si[5]C[5,6,6]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,3x6]C[6a])(Si[5]C[5,6,6]CC)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.3630	0.000	1	119.4630	0.020	2	119.5856	0.535	142	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,3x6]C[6a])(Si[5]C[5,6,6]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,3x6]C[6a])(Si[5]C[5,6,6]CC)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.5630	0.000	1	119.4630	0.020	2	119.5856	0.535	142	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]H){1|Fe<10>,1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.7565	0.180	2	119.7601	0.021	8	119.5856	0.535	142	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.6637	0.085	3	119.7601	0.021	8	119.5856	0.535	142	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0220	0.000	1	119.7601	0.021	8	119.5856	0.535	142	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(Si[5]C[5,5]CC)(C[6a]C[6a]H){1|Se<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.7775	0.067	2	119.7601	0.021	8	119.5856	0.535	142	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]CC)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.1845	0.579	6	119.2459	0.306	7	119.5856	0.535	142	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]CC)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.6140	0.000	1	119.2459	0.306	7	119.5856	0.535	142	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.7350	0.000	1	119.7350	0.000	1	119.5856	0.535	142	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.7370	0.000	1	119.5936	0.030	10	119.5856	0.535	142	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.5777	0.174	9	119.5936	0.030	10	119.5856	0.535	142	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[5]C)(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.5020	0.208	2	119.5020	0.043	2	119.5856	0.535	142	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	119.9387	0.372	8	119.7753	0.230	10	119.5856	0.535	142	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	119.1215	0.173	2	119.7753	0.230	10	119.5856	0.535	142	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.2568	2.295	6	119.2568	5.268	6	119.5856	0.535	142	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]Cl2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){2|Cl<1>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]Cl2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.0905	0.108	2	120.0905	0.012	2	119.5856	0.535	142	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]OO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|H<1>,2|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]OO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.7251	0.155	8	119.7251	0.024	8	119.5856	0.535	142	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]RuO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|Ru<9>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]RuO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.6925	0.107	2	119.6925	0.011	2	119.5856	0.535	142	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]Si2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){2|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]Si2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.6860	0.000	1	119.6860	0.000	1	119.5856	0.535	142	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]Si[5]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){2|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]Si[5]2)(C[6a]C[6a]H){1|Pd<4>,1|Si<4>,2|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	119.8085	0.306	2	119.8479	0.085	8	119.5856	0.535	142	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]Si[5]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){2|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]Si[5]2)(C[6a]C[6a]H){1|Pt<4>,1|Si<4>,2|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	119.8988	0.391	4	119.8479	0.085	8	119.5856	0.535	142	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]Si[5]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){2|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]Si[5]2)(C[6a]C[6a]H){2|Si<4>,2|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	119.7855	0.144	2	119.8479	0.085	8	119.5856	0.535	142	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]B[5])(Si[5]O[5]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]B[5])(Si[5]O[5]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.7505	0.036	2	119.7505	0.001	2	119.5856	0.535	142	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]H){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7930	1.094	3	120.5277	1.079	4	119.5856	0.535	142	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[5]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.7320	0.000	1	120.5277	1.079	4	119.5856	0.535	142	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[5]CO)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[5]CO)(C[6a]C[6a]H){1|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	119.8620	0.003	2	119.8620	0.000	2	119.5856	0.535	142	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[5]ClC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[5]ClC)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.8890	0.000	1	119.8890	0.000	1	119.5856	0.535	142	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[6a]2C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[6a]2C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2605	0.248	2	119.9897	0.057	6	119.5856	0.535	142	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[6a]2C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[6a]2C[5])(C[6a]C[6a]H){2|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	119.8543	0.037	4	119.9897	0.057	6	119.5856	0.535	142	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[6a]C[5]C)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]C[6a]C[5]C)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.6330	0.042	2	119.6330	0.002	2	119.5856	0.535	142	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]O[5]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]O[5]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.8510	0.040	2	119.8243	0.003	3	119.5856	0.535	142	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]O[5]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(Si[5]O[5]CC)(C[6a]C[6a]H){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.7710	0.000	1	119.8243	0.003	3	119.5856	0.535	142	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]S[5])(Si[5]C[5]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>,3|C<4>}	C[5,6a](C[5,6a]C[6a]S[5])(Si[5]C[5]CC)(C[6a]C[6a]H){2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.7560	0.000	1	119.7560	0.000	1	119.5856	0.535	142	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5,5]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5,5]CC)(C[6a]C[6a]H){1|Si<2>,1|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	118.6003	1.979	4	118.6003	3.916	4	119.5856	0.535	142	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|Si<4>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	119.6255	0.265	2	119.6252	0.019	5	119.5856	0.535	142	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|Si<4>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.6540	0.042	2	119.6252	0.019	5	119.5856	0.535	142	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){2|Si<4>,1|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	119.5670	0.000	1	119.6252	0.019	5	119.5856	0.535	142	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<2>,1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.4233	0.262	3	119.5300	0.057	5	119.5856	0.535	142	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|H<1>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	119.6300	0.000	1	119.5300	0.057	5	119.5856	0.535	142	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|Si<4>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.7500	0.000	1	119.5300	0.057	5	119.5856	0.535	142	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]Si[5]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){2|Si<4>,1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]Si[5]CC)(C[6a]C[6a]H){1|Pd<4>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	119.3610	0.000	1	119.3610	0.000	1	119.5856	0.535	142	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]Si[5]HH)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){2|Si<4>,1|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]Si[5]HH)(C[6a]C[6a]H){1|Pd<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.4960	0.000	1	119.4960	0.000	1	119.5856	0.535	142	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]N)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4682	0.124	4	120.4682	0.015	4	119.5856	0.535	142	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]O)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.7602	0.142	4	119.6558	0.070	5	119.5856	0.535	142	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]O)(H){1|N<3>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(Si[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.2380	0.000	1	119.6558	0.070	5	119.5856	0.535	142	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]S)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]S)(H){1|Si<4>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]O[5]CC)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	119.3440	0.072	2	119.3440	0.005	2	119.5856	0.535	142	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]Si)(H)	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]Si)(H){1|Si<4>,1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]Si[5])(Si[5]C[5]CC)(C[6a]C[6a]H){1|Si<4>,1|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	118.6670	0.000	1	118.6670	0.000	1	119.5856	0.535	142	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5a,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]N[5,5a,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5a,6a]C[5a,6a]C[5,5a])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]N[5,5a,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](N[5,5a,6a]C[5a,6a]C[5,5a])(C[5,6]C[5]C[6]2)(C[6a]C[6a]H){3|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0960	0.000	1	121.0960	0.000	1	121.0960	0.000	1	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]N[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]N[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|C<2>,1|C<3>,2|C<4>,2|O<2>}	C[5,6a](N[5,6a]C[6a]C[5])(C[5,5]C[5]O[5]2)(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2520	0.000	1	120.2520	0.000	1	120.2520	0.000	1	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5,5])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5,5])(H){1|N<2>,1|S<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[5a,6a]H){1|H<1>,1|N<2>,7|C<3>}	H(C[6a]C[5a,6a]C[5,6a])	121.8423	0.172	4	121.8423	0.030	4	121.8423	0.030	4	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(H){8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[5a,6a]H){1|H<1>,1|N<3>,7|C<3>}	H(C[6a]C[5a,6a]C[5,6a])	121.5640	0.000	1	121.5640	0.000	1	121.5640	0.000	1	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[6,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]N[6,6])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6,6a]H)	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[6,6a]C[6,6a]N[6,6])(C[5,6a]C[5,6a]C[5])(H){2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6,6a]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6,6a])	120.1455	0.080	2	120.1455	0.006	2	120.1455	0.006	2	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])(H){1|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[6a]C[6a,6a]H){1|H<1>,8|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	119.8990	0.000	1	119.8990	0.000	1	119.9985	0.020	2	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])(H){1|H<1>,2|C<4>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5,5]C[5]2N[5])(C[6a]C[6a,6a]H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	H(C[6a]C[6a,6a]C[5,6a])	120.0980	0.000	1	120.0980	0.000	1	119.9985	0.020	2	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[6]H)(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|N<3>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[6]H)(C[6a]C[6a,6a]H){2|C<4>,5|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	119.9080	0.000	1	119.9080	0.000	1	120.6950	0.637	3	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|F<1>,1|H<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a,6a]H){1|C<4>,1|O<1>,4|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	121.5040	0.000	1	121.0885	0.345	2	120.6950	0.637	3	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a,6a]H){1|H<1>,1|O<1>,4|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	120.6730	0.000	1	121.0885	0.345	2	120.6950	0.637	3	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]P[5])(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(P[5]C[5,6a]C[6a]O)(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]P[5])(H){1|H<1>,1|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(P[5]C[5,6a]C[6a]O)(C[6a]C[6a,6a]H){7|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	119.9510	0.000	1	119.9510	0.000	1	119.7797	0.160	4	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]P[5])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]O)(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]P[5])(H){1|H<1>,1|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6a]O)(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	119.5635	0.537	2	119.5635	0.288	2	119.7797	0.160	4	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:P[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]P[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]P[5])(H){1|H<1>,1|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]C[5]O)(C[6a]C[6a,6a]H){2|H<1>,5|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	120.0410	0.000	1	120.0410	0.000	1	119.7797	0.160	4	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]Si[5])(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(Si[5]C[5,6a]CC)(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[5,6a]Si[5])(H){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(Si[5]C[5,6a]CC)(C[6a]C[6a,6a]H){5|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	119.4440	0.000	1	119.4440	0.000	1	119.1583	0.061	3	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:Si[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]Si[5])(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]C[6a]C)(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]Si[5])(H){1|C<4>,1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(Si[5]C[5,5a]C[6a]C)(C[6a]C[6a,6a]H){1|H<1>,1|N<3>,5|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	119.0155	0.018	2	119.0155	0.000	2	119.1583	0.061	3	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:4:3:	3:	C[6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|H<1>,2|C<4>,3|C<3>,4|B<6>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|C<5>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9639	1.936	7	120.9639	3.746	7	120.9639	3.746	7	120.5686	0.670	4601	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:5:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:B[3,3,5]-5:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]B[3,3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[3,3,5]B[3,3,5]H[3]2H)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]B[3,3,5])(C[6a]C[6a]H)(H){1|B<5>,2|C<3>,2|H<1>,2|H<2>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(B[3,3,5]B[3,3,5]H[3]2H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.8385	0.066	2	119.8385	0.004	2	119.8385	0.004	2	119.8982	0.327	19	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:5:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:Si[4,4,5]-5:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]Si[4,4,5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(Si[4,4,5]Si[4,5]N[4]2O[4])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]Si[4,4,5])(C[6a]C[5,6a]H)(H){1|Si<4>,1|C<4>,1|O<2>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(Si[4,4,5]Si[4,5]N[4]2O[4])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<4>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	118.3300	0.000	1	118.3300	0.000	1	118.3300	0.000	1	119.8982	0.327	19	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:5:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:As[5]-5:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]As[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(As[5]C[6a]3O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]As[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(As[5]C[6a]3O[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,8|C<3>}	H(C[6a]C[5,6a]C[6a])	119.6290	0.000	1	119.6290	0.000	1	119.6290	0.000	1	119.8982	0.327	19	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:5:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-5:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]Ru3)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Ru<5>,2|Ru<6>,1|C<3>,1|C<4>,1|C<5>,1|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]Ru3)(C[6a]C[6a]H){1|Ru<6>,1|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8520	0.000	1	120.8520	0.000	1	120.7337	0.058	3	119.8982	0.327	19	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:5:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-5:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]GdNN)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Gd<18>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]N[5]GdNN)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6745	0.309	2	120.6745	0.095	2	120.7337	0.058	3	119.8982	0.327	19	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:5:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-5:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]SSU)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]C)(H){1|U<12>,1|H<1>,2|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]SSU)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.7039	0.227	7	119.7039	0.052	7	119.8524	0.101	12	119.8982	0.327	19	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:5:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-5:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6]2F)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(P[5]C[5,6a]C[6]2F)(C[6a]C[6a]H){3|C<3>,4|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	119.8235	0.149	2	119.8235	0.022	2	119.8524	0.101	12	119.8982	0.327	19	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:5:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-5:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]3O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]3O[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,8|C<3>}	H(C[6a]C[5,6a]C[6a])	119.8330	0.000	1	120.2183	0.112	3	119.8524	0.101	12	119.8982	0.327	19	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:5:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:P[5]-5:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]3O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(P[5]C[6a]3O[5])(C[6a]C[6a]H){3|H<1>,8|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4110	0.024	2	120.2183	0.112	3	119.8524	0.101	12	119.8982	0.327	19	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	3:6:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:S[5,5]-6:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5,5]C[5,6a]3CC)(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(S[5,5]C[5,6a]3CC)(C[6a]C[6a]H){2|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	118.2210	0.668	2	118.2210	0.446	2	118.2210	0.446	2	118.2210	0.446	2	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6,6a]-3:C[5,6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[5,6a]C[5,6a]C[5,5])(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[5,6,6a]H)	H(C[6a]C[5,6,6a]C[5,6a])	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[5,6a]C[5,6a]C[5,5])(H){1|H<1>,1|O<2>,2|C<3>,5|C<4>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[5,6,6a]H){1|H<1>,4|C<3>,4|C<4>}	H(C[6a]C[5,6,6a]C[5,6a])	121.2580	0.000	1	121.2580	0.000	1	121.2580	0.000	1	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[5,6a]C[5,6a]C[5,6])(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[5,6a]C[5,6a]C[5,6])(H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]2)	120.9750	0.000	1	120.8480	0.180	5	120.8480	0.180	5	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[5,6a]C[5,6a]C[5,6])(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[5,6a]C[5,6a]C[5,6])(H){1|H<1>,1|O<2>,2|C<3>,2|N<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[5,6a]H){1|N<3>,2|C<3>,3|C<4>,5|H<1>}	H(C[6a]C[5,6a]2)	120.8162	0.482	4	120.8480	0.180	5	120.8480	0.180	5	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[5])(H)	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[5])(H){1|C<3>,1|H<1>,1|O<2>,6|C<4>}	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|B<3>,1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]2)	121.0629	0.175	13	121.0629	0.031	13	121.2459	0.114	20	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){3|H<1>,3|O<2>,4|C<3>}	H(C[6a]C[5,6a]2)	122.2180	0.000	1	122.2180	0.000	1	121.2459	0.114	20	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])2(H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5,5])2(H){2|C<4>,3|C<3>,4|O<2>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[6a]C[5,6a]2)	121.4052	0.063	4	121.4803	0.016	6	121.2459	0.114	20	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])2(H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5,5])2(H){2|C<4>,3|C<3>,4|O<2>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H){1|C<4>,1|O<1>,2|O<2>,3|C<3>}	H(C[6a]C[5,6a]2)	121.6305	0.013	2	121.4803	0.016	6	121.2459	0.114	20	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[5,6a]C[5,6a]C[5,6])(H)	C[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[5,6a]C[5,6a]C[5,6])(H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H){1|C<3>,2|H<1>,4|C<4>}	H(C[6a]C[5,6a]2)	120.9550	0.000	1	120.8172	0.203	5	121.5530	0.807	12	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[5,6a]C[5,6a]C[5,6])(H)	C[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[5,6a]C[5,6a]C[5,6])(H){1|H<1>,1|O<2>,2|C<3>,2|N<3>,3|C<4>}	C[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H){1|C<3>,2|H<1>,4|C<4>}	H(C[6a]C[5,6a]2)	120.7827	0.513	4	120.8172	0.203	5	121.5530	0.807	12	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H){1|O<2>,3|C<3>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	H(C[6a]C[5,6a]2)	122.4900	0.000	1	122.4900	0.000	1	121.5530	0.807	12	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H){2|C<3>,2|O<2>,4|H<1>}	H(C[6a]C[5,6a]2)	122.1960	0.061	2	122.1960	0.004	2	121.5530	0.807	12	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5,6]C[5,6]N[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5,6])(C[5,6a]C[5,6a]O[5])(H){1|C<3>,1|N<3>,1|O<2>,4|C<4>}	C[5,6a](C[5,6]C[5,6]N[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H){1|Br<1>,1|C<4>,2|H<1>,2|O<2>,3|C<3>}	H(C[6a]C[5,6a]2)	123.4230	0.000	1	123.4230	0.000	1	121.5530	0.807	12	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])2(H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5,6])2(H){9|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H){1|C<4>,1|H<1>,7|C<3>}	H(C[6a]C[5,6a]2)	121.4150	0.213	3	121.4150	0.045	3	121.5530	0.807	12	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[5,6a]-3:H-1:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H)	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)	H(C[6a]C[5,6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H){1|H<1>,1|O<2>,5|C<3>}	H(C[6a]C[5,6a]2)	121.9060	0.000	1	121.9060	0.000	1	121.9060	0.000	1	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[5a,6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[5a,6a]C[5a,6a]O[5a])(H){1|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){2|C<3>,2|C<4>,3|H<1>,3|O<2>}	H(C[6a]C[5a,6a]C[5,6a])	122.2170	0.110	2	122.2170	0.012	2	122.2170	0.012	2	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6,6a]C[5,6,6]C[6,6a])(H)	C[5,6a](C[5,5,6]C[5,5,6,6]C[5,6a]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6,6a]C[5,6,6]C[6,6a])(H){1|O<2>,4|C<3>,4|C<4>}	C[5,6a](C[5,5,6]C[5,5,6,6]C[5,6a]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6,6a])	120.7560	0.000	1	120.7560	0.000	1	120.7560	0.000	1	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6,6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6,6a]C[6,6a]O[6])(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6,6a]H)	H(C[6a]C[5,6a]C[6,6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6,6a]C[6,6a]O[6])(H){1|O<2>,2|C<3>,4|C<4>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6,6a]H){1|H<1>,1|O<2>,3|C<4>,4|C<3>}	H(C[6a]C[5,6a]C[6,6a])	120.4735	0.052	2	120.4735	0.003	2	120.4735	0.003	2	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(H){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	H(C[6a]C[6a,6a]C[5,6a])	119.8965	0.237	2	119.8965	0.056	2	119.8997	0.024	4	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a,6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5,6a](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,3|C<4>,4|C<3>}	C[5,6a](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){3|C<4>,4|C<3>,5|H<1>}	H(C[6a]C[6a,6a]C[5,6a])	119.9030	0.126	2	119.9030	0.016	2	119.8997	0.024	4	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	As[5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]As[5])(C[6a]C[6a]H)(H)	C[5,6a](As[5]C[5,6a]C[6a]Pd)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]As[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,4|C<3>}	C[5,6a](As[5]C[5,6a]C[6a]Pd)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5265	0.107	2	120.5265	0.011	2	120.5840	0.211	20	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	As[5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]As[5])(C[6a]C[6a]H)(H)	C[5,6a](As[5]C[5,6a]C[6a]Pt)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]As[5])(C[6a]C[6a]H)(H){1|Pt<4>,1|H<1>,4|C<3>}	C[5,6a](As[5]C[5,6a]C[6a]Pt)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5904	0.484	18	120.5904	0.234	18	120.5840	0.211	20	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	B[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H)	C[5,6a](B[5,5]C[5,6a]2N[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](B[5,5]C[5,6a]2N[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	119.8440	0.000	1	119.8440	0.000	1	119.6325	0.027	6	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	B[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H)	C[5,6a](B[5,5]C[5,6a]2N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](B[5,5]C[5,6a]2N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	119.4875	0.185	2	119.4875	0.034	2	119.6325	0.027	6	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	B[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H)	C[5,6a](B[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](B[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|Si<4>,1|F<1>,1|H<1>,2|C<4>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.6725	0.098	2	119.6725	0.010	2	119.6325	0.027	6	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	B[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H)	C[5,6a](B[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<4>,2|C<4>,2|H<1>}	C[5,6a](B[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,4|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	119.6310	0.000	1	119.6310	0.000	1	119.6325	0.027	6	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	B[5,5a]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]B[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](B[5,5a]C[5,6a]N[5a,6]O[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]B[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](B[5,5a]C[5,6a]N[5a,6]O[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	119.8250	0.114	4	119.8250	0.013	4	119.8856	0.032	9	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	B[5,5a]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]B[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](B[5,5a]N[4,5]O[5a]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]B[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<4>,2|O<2>}	C[5,6a](B[5,5a]N[4,5]O[5a]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0650	0.018	2	120.0650	0.000	2	119.8856	0.032	9	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	B[5,5a]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]B[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](B[5,5a]N[5a,6]O[5a]O[5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]B[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|N<3>,2|O<2>}	C[5,6a](B[5,5a]N[5a,6]O[5a]O[5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.5730	0.000	1	119.5730	0.000	1	119.8856	0.032	9	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	B[5,5a]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]B[5,5a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](B[5,5a]O[5a]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]B[5,5a]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|O<2>}	C[5,6a](B[5,5a]O[5a]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.9835	0.129	2	119.9835	0.017	2	119.8856	0.032	9	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	B[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]B[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](B[5,6,6]N[5,6]N[6,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]B[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|N<3>}	C[5,6a](B[5,6,6]N[5,6]N[6,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	119.7040	0.000	1	119.7040	0.000	1	119.7040	0.000	1	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	B[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5,6])(C[6a]C[6a]H)(H)	C[5,6a](B[5,6]C[5,6a]C[6]P[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|P<4>,3|C<3>}	C[5,6a](B[5,6]C[5,6a]C[6]P[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){3|C<4>,4|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	119.5650	0.177	2	119.5650	0.031	2	119.9440	0.478	24	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	B[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5,6])(C[6a]C[6a]H)(H)	C[5,6a](B[5,6]C[5,6a]N[5,6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](B[5,6]C[5,6a]N[5,6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	119.8113	0.152	6	119.8113	0.023	6	119.9440	0.478	24	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	B[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5,6])(C[6a]C[6a]H)(H)	C[5,6a](B[5,6]C[5,6a]N[5a,6]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](B[5,6]C[5,6a]N[5a,6]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	119.7452	0.143	6	119.7452	0.021	6	119.9440	0.478	24	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	B[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5,6])(C[6a]C[6a]H)(H)	C[5,6a](B[5,6]C[5,6a]N[6,6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](B[5,6]C[5,6a]N[6,6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	119.5500	0.141	2	119.5500	0.020	2	119.9440	0.478	24	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	B[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5,6])(C[6a]C[6a]H)(H)	C[5,6a](B[5,6]C[5,6a]N[6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](B[5,6]C[5,6a]N[6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.0565	0.395	6	120.0565	0.156	6	119.9440	0.478	24	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	B[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5,6])(C[6a]C[6a]H)(H)	C[5,6a](B[5,6]N[5a,6]O[5]O[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5,6])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|N<3>,2|O<2>}	C[5,6a](B[5,6]N[5a,6]O[5]O[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3745	2.197	2	121.3745	4.827	2	119.9440	0.478	24	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	B[5,6a]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]B[5,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](B[5,6a]C[6a,6a]2N[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]B[5,6a]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](B[5,6a]C[6a,6a]2N[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	119.7390	0.215	2	119.7390	0.046	2	119.7222	0.017	5	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	B[5,6a]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]B[5,6a]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](B[5,6a]O[6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]B[5,6a]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<4>,2|O<2>}	C[5,6a](B[5,6a]O[6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|B<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	119.7110	0.098	3	119.7110	0.010	3	119.7222	0.017	5	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	B[5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H)	C[5,6a](B[5]C[5,6a]C[6a]N[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]B[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](B[5]C[5,6a]C[6a]N[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	119.3504	0.306	5	119.3504	0.093	5	119.3504	0.093	5	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[3,5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5,5,6]C[3,5,6]C[3,5]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[3,5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[3,5,5,6]C[3,5,6]C[3,5]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1400	0.000	1	120.1400	0.000	1	120.1400	0.000	1	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[3,5,5]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5,5]C[3,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[3,5,5]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[3,5,5]C[3,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,4|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7995	0.023	2	120.7995	0.001	2	120.7995	0.001	2	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[3,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5,6]C[3,5]C[3,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[3,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[3,5,6]C[3,5]C[3,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5430	0.047	2	120.5430	0.002	2	120.9456	0.185	5	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[3,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5,6]C[3,6]C[5,6]C[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[3,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[3,5,6]C[3,6]C[5,6]C[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3950	0.000	1	121.3950	0.000	1	120.9456	0.185	5	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[3,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5,6]C[3,6]N[3,5]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[3,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|S<4>,2|C<4>}	C[5,6a](C[3,5,6]C[3,6]N[3,5]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<1>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8500	0.000	1	120.8500	0.000	1	120.9456	0.185	5	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[3,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5,6]C[3x5,6,6]C[3,6]C[3])(C[5,6a]N[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[3,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[3,5,6]C[3x5,6,6]C[3,6]C[3])(C[5,6a]N[5,5,6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3970	0.000	1	121.3970	0.000	1	120.9456	0.185	5	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]C)(H)	C[5,6a](C[3,5]N[3,5]C[3]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,6a](C[3,5]N[3,5]C[3]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	120.3115	0.077	2	120.3115	0.006	2	120.4659	0.460	70	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9340	0.000	1	120.9340	0.000	1	120.4659	0.460	70	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]B[3,3]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|B<5>,2|C<4>}	C[5,6a](C[3,5]B[3,3]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<2>,1|P<3>,5|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9970	0.000	1	119.9970	0.000	1	120.4659	0.460	70	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,3x5]C[3,5]C)(C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[3,5]C[3,3x5]C[3,5]C)(C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.7440	0.000	1	121.7440	0.000	1	120.4659	0.460	70	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,3x5]C[3,5]H)(C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[3,5]C[3,3x5]C[3,5]H)(C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.5840	0.000	1	119.5840	0.000	1	120.4659	0.460	70	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.3260	0.042	2	120.5808	0.562	9	120.4659	0.460	70	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6520	0.000	1	120.5808	0.562	9	120.4659	0.460	70	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5010	0.000	1	120.5808	0.562	9	120.4659	0.460	70	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3270	0.000	1	120.5808	0.562	9	120.4659	0.460	70	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){4|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7738	1.174	4	120.5808	0.562	9	120.4659	0.460	70	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]C[6a])(C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,2|C<3>,2|C<4>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]C[6a])(C[5,6a]P[5,5]C[6a])(C[6a]C[6a]H){1|Se<1>,3|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3130	0.000	1	120.3130	0.000	1	120.4659	0.460	70	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9510	0.000	1	120.3886	0.779	10	120.4659	0.460	70	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8430	0.000	1	120.3886	0.779	10	120.4659	0.460	70	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8730	0.000	1	120.3886	0.779	10	120.4659	0.460	70	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8200	0.000	1	120.3886	0.779	10	120.4659	0.460	70	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|P<3>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	118.4330	0.000	1	120.3886	0.779	10	120.4659	0.460	70	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3932	0.749	5	120.3886	0.779	10	120.4659	0.460	70	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7613	0.157	3	120.7613	0.025	3	120.4659	0.460	70	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5,5]C[3,5]P)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<3>,3|C<4>}	C[5,6a](C[3,5]C[3,5,5]C[3,5]P)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|P<3>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1100	0.000	1	120.1100	0.000	1	120.4659	0.460	70	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5,6,6]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6a](C[3,5]C[3,5,6,6]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){5|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4920	0.000	1	120.4920	0.000	1	120.4659	0.460	70	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6a](C[3,5]C[3,5]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,8|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3340	0.000	1	120.3340	0.000	1	120.4659	0.460	70	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[3,5]C[3,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<4>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	119.7860	0.902	2	120.0648	0.386	4	120.4659	0.460	70	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[3,5]C[3,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4740	0.000	1	120.0648	0.386	4	120.4659	0.460	70	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[3,5]C[3,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2130	0.000	1	120.0648	0.386	4	120.4659	0.460	70	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5]C[3,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[3,5]C[3,5]C[3,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5265	0.879	2	121.5265	0.773	2	120.4659	0.460	70	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5]C[3]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[3,5]C[3,5]C[3]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2040	0.000	1	120.2040	0.000	1	120.4659	0.460	70	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7810	0.000	1	120.5890	0.068	3	120.4659	0.460	70	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6940	0.000	1	120.5890	0.068	3	120.4659	0.460	70	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[3,5]C[3,5]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2920	0.000	1	120.5890	0.068	3	120.4659	0.460	70	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.3680	0.000	1	119.8504	0.710	5	120.4659	0.460	70	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	118.9110	0.000	1	119.8504	0.710	5	120.4659	0.460	70	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8860	0.000	1	119.8504	0.710	5	120.4659	0.460	70	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5810	0.000	1	119.8504	0.710	5	120.4659	0.460	70	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|O<1>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	119.5060	0.000	1	119.8504	0.710	5	120.4659	0.460	70	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[3,5]C[3,5]C[3]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9120	0.000	1	120.9120	0.000	1	120.4659	0.460	70	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5]N[3]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[5,6a](C[3,5]C[3,5]N[3]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|S<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3050	0.000	1	120.3050	0.000	1	120.4659	0.460	70	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,5]O[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[3,5]C[3,5]O[3]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7450	0.000	1	120.7450	0.000	1	120.4659	0.460	70	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3,6]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[3,5]C[3,6]C[3]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1640	0.000	1	120.1640	0.000	1	120.4659	0.460	70	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3]C[5]N[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[3,5]C[3]C[5]N[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,1|O<1>,1|S<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7430	0.000	1	120.6507	0.007	3	120.4659	0.460	70	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3]C[5]N[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[3,5]C[3]C[5]N[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6045	0.035	2	120.6507	0.007	3	120.4659	0.460	70	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7915	0.558	2	120.5314	0.765	7	120.4659	0.460	70	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8350	0.000	1	120.5314	0.765	7	120.4659	0.460	70	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8857	0.243	3	120.5314	0.765	7	120.4659	0.460	70	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	118.6450	0.000	1	120.5314	0.765	7	120.4659	0.460	70	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]N[3,5]C[3]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,6a](C[3,5]N[3,5]C[3]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|I<1>,2|C<3>,2|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	120.6280	0.000	1	120.6280	0.000	1	120.4659	0.460	70	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]N[3,5]C[3]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|S<4>,2|H<1>}	C[5,6a](C[3,5]N[3,5]C[3]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|C<3>,2|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6790	0.000	1	120.6790	0.000	1	120.4659	0.460	70	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]N[3,5]C[6a]O[3])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,1|S<4>,2|C<3>}	C[5,6a](C[3,5]N[3,5]C[6a]O[3])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9640	0.000	1	120.9640	0.000	1	120.4659	0.460	70	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]Nb[3,5,6,6]N[3]H)(C[5,6a]P[5,6,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|Nb<6>,1|C<3>,1|N<3>,1|P<4>,2|H<1>}	C[5,6a](C[3,5]Nb[3,5,6,6]N[3]H)(C[5,6a]P[5,6,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.7810	0.000	1	119.7810	0.000	1	120.4659	0.460	70	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H)	C[5,6a](C[3,5]Nb[3x3,5,6,6]N[3]H)(C[5,6a]P[5,6,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]H)(H){1|Nb<8>,1|C<3>,1|N<3>,1|P<4>,2|H<1>}	C[5,6a](C[3,5]Nb[3x3,5,6,6]N[3]H)(C[5,6a]P[5,6,6]C[6a])(C[6a]C[6a]H){1|S<5>,2|H<1>,2|N<3>,2|O<2>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.9250	0.000	1	119.9250	0.000	1	120.4659	0.460	70	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]I)(H)	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]I)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[3,5]C[3]C[5]O[3])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|I<1>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0135	0.056	2	121.0135	0.003	2	120.4659	0.460	70	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]O)(H)	C[5,6a](C[3,5]C[3,5,6]C[3,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[3,5]C[3,5,6]C[3,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5010	0.000	1	120.5010	0.000	1	120.4659	0.460	70	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]O)(H)	C[5,6a](C[3,5]C[3,5,6]C[6a]C[3])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3,5])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[3,5]C[3,5,6]C[6a]C[3])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,4|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2440	0.000	1	120.2440	0.000	1	120.4659	0.460	70	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3x5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[3x5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[3x5,6,6]C[5,5,3x6]C[5,3x6]C[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[3x5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[3x5,6,6]C[5,5,3x6]C[5,3x6]C[5,5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7610	0.000	1	120.7610	0.000	1	120.7610	0.000	1	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3x5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[3x5,6]C[5,6a])(C[6a]C[6a]Br)(H)	C[5,6a](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[3x5,6]C[5,6a])(C[6a]C[6a]Br)(H){1|C<3>,1|N<3>,1|O<2>,3|C<4>}	C[5,6a](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|Br<1>,1|C<3>,1|N<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	121.1380	0.000	1	121.1380	0.000	1	120.0645	0.214	13	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3x5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[3x5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[3x5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3985	0.302	2	119.9263	0.100	11	120.0645	0.214	13	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3x5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[3x5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[3x5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3100	0.000	1	119.9263	0.100	11	120.0645	0.214	13	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3x5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[3x5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[3x5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,3|C<4>}	C[5,6a](C[3x5,6]C[3x5,6,6]C[5,5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,4|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	119.7602	0.118	8	119.9263	0.100	11	120.0645	0.214	13	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3x5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[3x5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[3x5,6]C[5,6,6a]N[5,5,6]C[5,5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[3x5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,6a](C[3x5,6]C[5,6,6a]N[5,5,6]C[5,5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5120	0.000	1	120.5120	0.000	1	120.0645	0.214	13	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3x5]-4:C[5,6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[3x5])(C[6a]C[6a]H)(H)	C[5,6a](C[3x5]C[5,5,6]C[5,5]N[5,5])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[3x5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[3x5]C[5,5,6]C[5,5]N[5,5])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,4|C<3>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	120.6085	0.165	4	120.6085	0.027	4	120.6085	0.027	4	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]C)(H)	C[5,6a](C[3x5]C[5,6a]2P[3x5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,1|P<5>,3|C<3>}	C[5,6a](C[3x5]C[5,6a]2P[3x5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<2>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.4032	0.057	6	119.4032	0.003	6	120.4133	1.379	53	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]C)(H)	C[5,6a](C[3x5]C[5,6a]2Si[3x5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]C)(H){1|Si<5>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[3x5]C[5,6a]2Si[3x5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<3>,2|O<2>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	118.3493	2.923	3	118.3493	8.547	3	120.4133	1.379	53	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H)	C[5,6a](C[3x5]C[3,3x5]C[5,6a]C[5])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[3x5]C[3,3x5]C[5,6a]C[5])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	125.3020	0.000	1	124.3325	1.880	2	120.4133	1.379	53	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H)	C[5,6a](C[3x5]C[3,3x5]C[5,6a]C[5])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[3x5]C[3,3x5]C[5,6a]C[5])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	123.3630	0.000	1	124.3325	1.880	2	120.4133	1.379	53	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H)	C[5,6a](C[3x5]C[3x5]C[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[3x5]C[3x5]C[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,4|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3580	0.000	1	120.3580	0.000	1	120.4133	1.379	53	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H)	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,7|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3760	0.000	1	120.4638	0.024	5	120.4133	1.379	53	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H)	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|S<4>,2|C<3>,3|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6710	0.000	1	120.4638	0.024	5	120.4133	1.379	53	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H)	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2700	0.000	1	120.4638	0.024	5	120.4133	1.379	53	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H)	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|C<3>,3|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4440	0.000	1	120.4638	0.024	5	120.4133	1.379	53	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H)	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|C<4>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5580	0.000	1	120.4638	0.024	5	120.4133	1.379	53	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H)	C[5,6a](C[3x5]C[3x5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[3x5]C[3x5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0700	0.000	1	121.1070	0.003	2	120.4133	1.379	53	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H)	C[5,6a](C[3x5]C[3x5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[3x5]C[3x5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1440	0.000	1	121.1070	0.003	2	120.4133	1.379	53	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H)	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|N<3>,7|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3440	0.000	1	120.4873	0.017	9	120.4133	1.379	53	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H)	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|O<2>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5980	0.000	1	120.4873	0.017	9	120.4133	1.379	53	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H)	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|N<3>,3|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2640	0.000	1	120.4873	0.017	9	120.4133	1.379	53	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H)	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,1|S<4>,4|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6040	0.000	1	120.4873	0.017	9	120.4133	1.379	53	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H)	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,4|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5790	0.000	1	120.4873	0.017	9	120.4133	1.379	53	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H)	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4993	0.097	4	120.4873	0.017	9	120.4133	1.379	53	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H)	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4065	0.315	2	120.4203	0.050	3	120.4133	1.379	53	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H)	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[3x5]C[5,5]2C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4480	0.000	1	120.4203	0.050	3	120.4133	1.379	53	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H)	C[5,6a](C[3x5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[3x5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1710	0.000	1	121.1710	0.000	1	120.4133	1.379	53	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H)	C[5,6a](C[3x5]C[5,6a]2C[6x5])(C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[3x5]C[5,6a]2C[6x5])(C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4155	0.122	19	120.4155	0.015	19	120.4133	1.379	53	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]N)(H)	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[3x5])(C[6a]C[6a]N)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[3x5]C[3x5]C[5]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0840	0.000	2	121.0840	0.000	2	120.4133	1.379	53	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[4,5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5,5,6]C[4,5,5]C[4,6]O[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[4,5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[4,5,5,6]C[4,5,5]C[4,6]O[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8930	0.000	1	120.8930	0.000	1	120.8930	0.000	1	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[4,5,5]C[5,6a])(C[6a]C[6a]Br)(H)	C[5,6a](C[4,5,5]C[4,5,5]C[4]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[4,5,5]C[5,6a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[4,5,5]C[4,5,5]C[4]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,2|C<4>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3760	0.000	1	120.3760	0.000	1	120.3703	0.024	7	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[4,5,5]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5,5]C[4,5,5]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[4,5,5]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6a](C[4,5,5]C[4,5,5]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,4|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3865	0.254	2	120.3865	0.064	2	120.3703	0.024	7	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[4,5,5]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5,5]C[4,5,5]2Ge[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[4,5,5]C[5,6a])(C[6a]C[6a]H)(H){1|Ge<4>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[4,5,5]C[4,5,5]2Ge[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4910	0.000	1	120.4910	0.000	1	120.3703	0.024	7	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[4,5,5]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5,5]C[4,5,5]2Si[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[4,5,5]C[5,6a])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[4,5,5]C[4,5,5]2Si[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1240	0.000	1	120.1240	0.000	1	120.3703	0.024	7	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[4,5,5]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5,5]C[4,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[4,5,5]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[4,5,5]C[4,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3780	0.000	1	120.4140	0.003	2	120.3703	0.024	7	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[4,5,5]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5,5]C[4,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[4,5,5]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[4,5,5]C[4,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|C<3>,3|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4500	0.000	1	120.4140	0.003	2	120.3703	0.024	7	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5,6]-4:C[5,6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[4,5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5,6]C[4,5,6]C[6,6a]C[4])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[4,5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[4,5,6]C[4,5,6]C[6,6a]C[4])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,3|C<4>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4820	0.000	1	120.4820	0.000	1	120.4820	0.000	1	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[4,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5,6]C[4,5,6,6]C[4]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[4,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[4,5,6]C[4,5,6,6]C[4]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7420	0.000	1	120.7420	0.000	1	120.7510	0.019	3	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[4,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5,6]C[4,5,6]C[4,5]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[4,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[4,5,6]C[4,5,6]C[4,5]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8920	0.000	1	120.8920	0.000	1	120.7510	0.019	3	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[4,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5,6]C[4,6a]C[4,6]N[5,6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[4,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,6a](C[4,5,6]C[4,6a]C[4,6]N[5,6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6190	0.000	1	120.6190	0.000	1	120.7510	0.019	3	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,4|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0190	0.000	1	121.0190	0.000	1	120.6306	0.089	85	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]C)(H)	C[5,6a](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|C<6>,1|N<3>,2|H<1>}	C[5,6a](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|C<4>,1|C<6>,2|H<1>,4|B<6>}	H(C[6a]C[5,6a]C[6a])	119.9390	0.000	1	119.9390	0.000	1	120.6306	0.089	85	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[4,5]C[4,5,6]N[4]C)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[5,6a](C[4,5]C[4,5,6]N[4]C)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6660	0.000	1	120.6660	0.000	1	120.6306	0.089	85	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<2>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3040	0.000	1	120.8240	0.541	2	120.6306	0.089	85	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,2|C<4>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3440	0.000	1	120.8240	0.541	2	120.6306	0.089	85	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[3,4]C[4,5]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[4,5]C[3,4]C[4,5]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|C<3>,3|H<1>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	120.3865	0.087	2	120.4663	0.023	3	120.6306	0.089	85	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[3,4]C[4,5]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[4,5]C[3,4]C[4,5]C[6a])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6260	0.000	1	120.4663	0.023	3	120.6306	0.089	85	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[3,4]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[4,5]C[3,4]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.1960	0.000	1	121.1960	0.000	1	120.6306	0.089	85	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,4,5]C[4,5]P[6])(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<4>,3|C<4>}	C[5,6a](C[4,5]C[4,4,5]C[4,5]P[6])(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H){1|O<1>,1|P<4>,2|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4420	0.024	2	120.4420	0.001	2	120.6306	0.089	85	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,4,5]C[4]H)(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[4,5]C[4,4,5]C[4]H)(C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.3320	0.260	2	120.3320	0.068	2	120.6306	0.089	85	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,5,6]C[4]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[4,5]C[4,5,6]C[4]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3430	0.000	1	120.3430	0.000	1	120.6306	0.089	85	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,5,6]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[4,5]C[4,5,6]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6790	0.000	1	120.6790	0.000	1	120.6306	0.089	85	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,5]2C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[4,5]C[4,5]2C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5931	0.136	15	120.6355	0.024	19	120.6306	0.089	85	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,5]2C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[4,5]C[4,5]2C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7945	0.132	4	120.6355	0.024	19	120.6306	0.089	85	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,5]2C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>,2|C<4>}	C[5,6a](C[4,5]C[4,5]2C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.7530	0.000	1	119.7530	0.000	1	120.6306	0.089	85	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,5]C[4,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[4,5]C[4,5]C[4,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|F<1>,2|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3140	0.000	1	120.4515	0.038	2	120.6306	0.089	85	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,5]C[4,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[4,5]C[4,5]C[4,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5890	0.000	1	120.4515	0.038	2	120.6306	0.089	85	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,5]C[4]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[4,5]C[4,5]C[4]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4880	0.000	1	120.4880	0.000	1	120.6306	0.089	85	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,5]C[4]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[4,5]C[4,5]C[4]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|P<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4050	0.000	1	120.6255	0.097	2	120.6306	0.089	85	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,5]C[4]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[4,5]C[4,5]C[4]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8460	0.000	1	120.6255	0.097	2	120.6306	0.089	85	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,5]C[4]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[4,5]C[4,5]C[4]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5090	0.000	1	120.5090	0.000	1	120.6306	0.089	85	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,5]C[4]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[4,5]C[4,5]C[4]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9470	0.000	1	120.9470	0.000	1	120.6306	0.089	85	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,5]C[5,6]C[4])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[4,5]C[4,5]C[5,6]C[4])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6960	0.331	2	120.6960	0.110	2	120.6306	0.089	85	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9553	0.838	3	120.7518	0.167	12	120.6306	0.089	85	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9080	0.000	1	120.7518	0.167	12	120.6306	0.089	85	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7270	0.000	1	120.7518	0.167	12	120.6306	0.089	85	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6985	0.212	4	120.7518	0.167	12	120.6306	0.089	85	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5210	0.174	2	120.7518	0.167	12	120.6306	0.089	85	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[4,5]C[4,5]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6850	0.000	1	120.7518	0.167	12	120.6306	0.089	85	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,5]C[6a]C[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[4,5]C[4,5]C[6a]C[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|S<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9400	0.000	1	119.9400	0.000	1	120.6306	0.089	85	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,6]C[4]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[4,5]C[4,6]C[4]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4825	0.272	2	120.4825	0.074	2	120.6306	0.089	85	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4,6a]C[4]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[4,5]C[4,6a]C[4]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1180	0.000	1	121.1180	0.000	1	120.6306	0.089	85	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0490	0.000	1	121.0490	0.000	1	120.6306	0.089	85	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8250	0.000	1	120.6773	0.045	8	120.6306	0.089	85	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0640	0.000	1	120.6773	0.045	8	120.6306	0.089	85	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,4|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5882	0.139	6	120.6773	0.045	8	120.6306	0.089	85	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[4,5]C[4]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7320	0.000	1	120.7700	0.003	2	120.6306	0.089	85	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[4]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[4,5]C[4]C[5]O[4])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8080	0.000	1	120.7700	0.003	2	120.6306	0.089	85	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[5,6a]C[4,5]C[4])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[4,5]C[5,6a]C[4,5]C[4])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5260	0.093	3	120.5848	0.011	5	120.6306	0.089	85	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[5,6a]C[4,5]C[4])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[4,5]C[5,6a]C[4,5]C[4])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6730	0.013	2	120.5848	0.011	5	120.6306	0.089	85	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[5,6a]C[4,5]Ge[4])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|Ge<4>,1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[4,5]C[5,6a]C[4,5]Ge[4])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|O<2>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6890	0.057	2	120.6890	0.003	2	120.6306	0.089	85	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[5x3,4,5x5,20x6]C[4,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<3>,1|C<6>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[4,5]C[5x3,4,5x5,20x6]C[4,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|C<6>,3|H<1>,4|B<6>}	H(C[6a]C[5,6a]C[6a])	120.5990	0.000	1	120.5990	0.000	1	120.6306	0.089	85	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|C<6>,1|N<3>,2|H<1>}	C[5,6a](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<6>,2|C<3>,3|H<1>,4|B<6>}	H(C[6a]C[5,6a]C[6a])	120.3980	0.140	2	120.5905	0.057	4	120.6306	0.089	85	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|C<6>,1|N<3>,2|H<1>}	C[5,6a](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|C<4>,1|C<6>,2|H<1>,4|B<6>}	H(C[6a]C[5,6a]C[6a])	120.7350	0.000	1	120.5905	0.057	4	120.6306	0.089	85	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|C<6>,1|N<3>,2|H<1>}	C[5,6a](C[4,5]C[5x3,4,5x5,20x6]C[4,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Si<4>,1|C<6>,2|C<3>,2|H<1>,4|B<6>}	H(C[6a]C[5,6a]C[6a])	120.8310	0.000	1	120.5905	0.057	4	120.6306	0.089	85	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H)	C[5,6a](C[4,5]N[4,5]C[4]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[4,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<4>,3|C<3>}	C[5,6a](C[4,5]N[4,5]C[4]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	120.7675	0.233	2	120.7675	0.054	2	120.6306	0.089	85	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,3x6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,3x6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,3x6]C[4x6]C[5,6]C[6,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,3x6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,3x6]C[4x6]C[5,6]C[6,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0660	0.000	1	121.0660	0.000	1	120.7177	0.242	12	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,3x6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,3x6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,3x6]C[5,5,6,6]C[5,6,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,3x6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,3x6]C[5,5,6,6]C[5,6,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4480	0.000	1	120.4480	0.000	1	120.7177	0.242	12	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,3x6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,3x6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,3x6]C[5,6,6]3)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,3x6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,3x6]C[5,6,6]3)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0252	0.376	5	121.0252	0.141	5	120.7177	0.242	12	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,3x6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,3x6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,3x6]C[5,6,6]C[6,6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,3x6]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,3x6]C[5,6,6]C[6,6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5600	0.000	1	120.6030	0.013	4	120.7177	0.242	12	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,3x6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,3x6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,3x6]C[5,6,6]C[6,6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,3x6]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,3x6]C[5,6,6]C[6,6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4720	0.000	1	120.6030	0.013	4	120.7177	0.242	12	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,3x6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,3x6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,3x6]C[5,6,6]C[6,6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,3x6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,3x6]C[5,6,6]C[6,6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6900	0.064	2	120.6030	0.013	4	120.7177	0.242	12	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,3x6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,3x6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5x6])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,3x6]C[5,6a])(C[6a]C[6a]H)(H){1|Si<4>,1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,3x6]C[6,6,6a]C[5,6,6]C[5x6])(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	119.5600	0.000	1	119.5600	0.000	1	120.7177	0.242	12	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,3x6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,3x6]C[5,6a])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,5,3x6]C[5,3x6]C[5,4x6]C[5,6])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,3x6]C[5,6a])(C[6a]C[5,6a]H)(H){1|C<3>,1|N<3>,1|O<2>,3|C<4>}	C[5,6a](C[5,5,3x6]C[5,3x6]C[5,4x6]C[5,6])(C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	120.1700	0.000	1	120.1700	0.000	1	120.5860	0.346	2	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,3x6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,3x6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,3x6]C[5,6,6]3)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,3x6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,5,3x6]C[5,6,6]3)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	121.0020	0.000	1	121.0020	0.000	1	120.5860	0.346	2	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6,6]C[5,6a,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6,6]C[5,6a,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,9|C<3>}	H(C[6a]C[5,6a]C[6a])	121.6430	0.000	1	121.6430	0.000	1	121.1240	0.539	2	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6,6]C[5,6a,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6,6]C[5,6a,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,8|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6050	0.000	1	120.6050	0.000	1	121.1240	0.539	2	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6,6]C[5,6a])(C[6a]C[6,6a]H)(H)	C[5,6a](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6,6]C[5,6a])(C[6a]C[6,6a]H)(H){1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(C[5,6a]C[6,6a]O[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7000	0.148	2	120.7000	0.022	2	120.7114	0.145	13	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6,6]C[5,6a])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6,6]C[5,6a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6120	0.000	1	120.6120	0.000	1	120.7114	0.145	13	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6,6]C[5,3x6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,5,6,6]C[5,3x6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,4|C<4>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5370	0.000	1	120.6480	0.025	2	120.7114	0.145	13	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6,6]C[5,3x6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,5,6,6]C[5,3x6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,4|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7590	0.000	1	120.6480	0.025	2	120.7114	0.145	13	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6,6]C[5,3x6]C[5,6,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6a](C[5,5,6,6]C[5,3x6]C[5,6,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,8|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6120	0.098	2	120.6120	0.010	2	120.7114	0.145	13	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6,6]C[5,3x6]C[5,6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,5,6,6]C[5,3x6]C[5,6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<4>,3|C<3>,3|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7410	0.000	1	120.7410	0.000	1	120.7114	0.145	13	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|N<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2270	0.000	1	120.2270	0.000	1	120.7114	0.145	13	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[5,3x6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[5,3x6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,4|C<4>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5940	0.000	1	120.5940	0.000	1	120.7114	0.145	13	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|N<3>,2|C<4>,3|C<3>}	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4430	0.000	1	120.4430	0.000	1	120.7114	0.145	13	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6,6]C[5,5,6]C[5,6,6]O[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,5,6,6]C[5,5,6]C[5,6,6]O[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8530	0.000	1	121.8530	0.000	1	120.7114	0.145	13	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6,6]C[5,6a])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[3x6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6,6]C[5,6a])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[3x6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,3|C<3>,3|H<1>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	120.8580	0.000	1	120.8580	0.000	1	120.7114	0.145	13	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[6,6a]C[5,6])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,4|C<3>}	C[5,6a](C[5,5,6]C[5,5,6]C[6,6a]C[5,6])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<4>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5050	0.000	1	120.3380	0.056	2	120.3380	0.056	2	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5,5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[6,6a]C[5,6])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5,5,6])(C[6a]C[6a]H)(H){1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,5,6]C[5,5,6]C[6,6a]C[5,6])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1710	0.000	1	120.3380	0.056	2	120.3380	0.056	2	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|N<3>,1|O<1>,1|S<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0960	0.000	1	121.0960	0.000	1	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]C)(H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|H<1>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	119.9500	0.000	1	119.9500	0.000	1	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]C)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4510	0.000	1	120.4510	0.000	1	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]C)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1090	0.134	2	120.1090	0.018	2	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]C[6])(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]C[6])(H){1|N<3>,1|O<2>,3|C<3>,4|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,5|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	119.5335	0.122	2	119.5335	0.015	2	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|Cl<1>,2|C<4>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2950	0.000	1	121.2950	0.000	1	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|Cl<1>,2|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4830	0.000	1	121.4830	0.000	1	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|Cl<1>,3|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5490	0.000	1	120.5490	0.000	1	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]F)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.4230	0.000	1	121.4230	0.000	1	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]F)(H)	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]F)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,3|C<4>,4|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4110	0.000	1	121.4110	0.000	1	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[3x5,6]C[5,5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,5,6]C[3x5,6]C[5,5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1920	0.000	1	121.1920	0.000	1	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[3x5,6]C[5,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5,6]C[3x5,6]C[5,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3770	0.000	1	120.3770	0.000	1	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[3x5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,5,6]C[3x5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	119.4020	0.000	1	119.4020	0.000	1	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[3x5,6]O[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,5,6]C[3x5,6]O[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.5760	0.000	1	121.5760	0.000	1	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1110	0.000	1	120.1110	0.000	1	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6,6]C[5,6a]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5,6]C[5,5,6,6]C[5,6a]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8190	0.000	1	120.8190	0.000	1	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8390	0.000	1	120.8390	0.000	1	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4610	0.000	1	120.3760	0.014	2	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2910	0.000	1	120.3760	0.014	2	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|S<4>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5730	0.000	1	120.3320	0.059	5	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2717	0.233	4	120.3320	0.059	5	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5290	0.000	1	120.5290	0.000	1	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3920	0.000	2	120.3920	0.000	2	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,4|C<4>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6450	0.054	2	120.5224	0.016	7	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5150	0.000	1	120.5224	0.016	7	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3860	0.000	1	120.5224	0.016	7	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3210	0.000	1	120.5224	0.016	7	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|O<1>,4|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5690	0.000	1	120.5224	0.016	7	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,2|C<3>,3|H<1>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	120.5760	0.000	1	120.5224	0.016	7	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,4|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4690	0.000	1	120.4690	0.000	1	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<2>,4|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7770	0.000	1	121.3350	0.623	2	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8930	0.000	1	121.3350	0.623	2	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]O)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]O)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3420	0.000	1	121.3420	0.000	1	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>,6|C<4>}	H(C[6a]C[5,6a]C[6a])	119.2110	0.000	1	119.2110	0.000	1	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8980	0.000	1	120.8980	0.000	1	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6a]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6a]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5378	0.213	4	120.5378	0.045	4	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,4|C<4>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0500	0.000	1	120.3891	0.416	10	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5520	0.000	1	120.3891	0.416	10	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	118.6840	0.000	1	120.3891	0.416	10	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3930	0.000	1	120.3891	0.416	10	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,7|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5063	0.092	3	120.3891	0.416	10	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9460	0.000	1	120.3891	0.416	10	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3735	0.059	2	120.3891	0.416	10	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6360	0.000	1	120.6360	0.000	1	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,4|C<4>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9110	0.000	1	120.9110	0.000	1	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5400	0.000	1	120.6435	0.021	2	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[6]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|S<4>,2|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7470	0.000	1	120.6435	0.021	2	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]N[5,5,6]H)(C[5,6a]C[6a]Ge[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|Ge<2>,1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]N[5,5,6]H)(C[5,6a]C[6a]Ge[5])(C[6a]C[6a]H){1|Ge<3>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8230	0.000	1	120.8230	0.000	1	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5,6]N[5,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5,6]C[5,5,6]N[5,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<3>,2|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1230	0.000	1	121.1230	0.000	1	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,7|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8220	0.000	1	120.4940	0.090	5	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,4|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7880	0.000	1	120.4940	0.090	5	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|C<4>,4|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4210	0.000	1	120.4940	0.090	5	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2870	0.000	1	120.4940	0.090	5	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5,6]C[5,5]C[5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1520	0.000	1	120.4940	0.090	5	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,5]C[5,6]O[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,5,6]C[5,5]C[5,6]O[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.8030	0.000	1	121.8030	0.000	1	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|O<2>,4|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4220	0.000	1	120.5314	0.043	17	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,4|C<4>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3400	0.000	1	120.5314	0.043	17	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<4>,4|C<4>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5530	0.000	1	120.5314	0.043	17	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<4>,2|C<3>,3|C<4>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5539	0.230	13	120.5314	0.043	17	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5180	0.000	1	120.5314	0.043	17	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9260	0.000	1	120.6267	0.282	31	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,7|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4123	0.720	4	120.6267	0.282	31	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,4|C<4>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4821	0.210	7	120.6267	0.282	31	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8080	0.000	1	120.6267	0.282	31	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5050	0.000	1	120.6267	0.282	31	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,1|O<2>,3|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,4|C<4>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	119.6170	0.000	1	120.6267	0.282	31	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6430	0.000	1	120.6267	0.282	31	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|Cl<1>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6690	0.000	1	120.6267	0.282	31	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9700	0.000	1	120.6267	0.282	31	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2875	0.598	2	120.6267	0.282	31	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|S<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1240	0.000	1	120.6267	0.282	31	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4567	0.358	10	120.6267	0.282	31	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0990	0.000	1	120.0990	0.000	1	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0570	0.000	1	120.4284	0.066	9	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,7|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2380	0.000	1	120.4284	0.066	9	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|S<4>,2|C<3>,2|C<4>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3420	0.000	1	120.4284	0.066	9	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2400	0.000	1	120.4284	0.066	9	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8990	0.000	1	120.4284	0.066	9	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4040	0.024	2	120.4284	0.066	9	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6510	0.000	1	120.4284	0.066	9	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|S<4>,2|C<3>,3|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6210	0.000	1	120.4284	0.066	9	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]N[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|N<2>,1|O<2>,4|C<4>}	C[5,6a](C[5,5,6]C[5,6]2C[5])(C[5,6a]N[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9320	0.000	1	120.9320	0.000	1	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,6]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,5,6]C[5,6]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,2|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6680	0.000	1	120.6680	0.000	1	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	123.2030	0.000	1	123.2030	0.000	1	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[5,6a](C[5,5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5940	0.000	1	120.5940	0.000	1	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5,6]C[5,6]O[5,6]C[5])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,5,6]C[5,6]O[5,6]C[5])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|C<3>,4|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1370	0.000	1	121.1370	0.000	1	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]N)(H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]N)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0410	0.000	1	121.0410	0.000	1	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]2H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3520	0.000	1	120.3520	0.000	1	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[3,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[3,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9520	0.000	1	120.9520	0.000	1	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,4|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6940	0.077	3	120.6940	0.006	3	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0980	0.000	1	121.0980	0.000	1	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7260	0.000	1	120.5890	0.038	2	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,4|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4520	0.000	1	120.5890	0.038	2	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>,3|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6094	1.005	10	120.4602	0.568	49	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<2>,3|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]2C[5])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<4>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4220	0.686	39	120.4602	0.568	49	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,5,6]C[5,6,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5083	0.166	3	120.5083	0.028	3	120.5628	0.352	192	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[5,6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[5,6a]H)(H){1|N<3>,1|O<2>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3710	0.000	1	120.3710	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.1050	0.000	1	121.1050	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4500	0.000	1	120.4500	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0130	0.000	1	121.0130	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.7550	0.000	1	121.7550	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3325	0.327	2	120.8298	0.237	5	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1670	0.126	2	120.8298	0.237	5	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.1500	0.000	1	120.8298	0.237	5	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2490	0.000	1	121.2490	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.0260	0.000	1	121.0792	0.021	5	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,1|S<2>,2|C<3>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	121.2155	0.135	2	121.0792	0.021	5	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|Br<1>,1|H<1>,1|O<1>,3|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.9695	0.050	2	121.0792	0.021	5	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.6045	0.066	2	121.6045	0.004	2	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|Br<1>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1080	0.000	1	121.1080	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,3|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.0690	0.000	1	121.0690	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|Br<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|Br<1>,2|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4112	0.231	6	120.2838	0.067	13	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|N<3>,2|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<4>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.0427	0.251	4	120.2838	0.067	13	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|Br<1>,3|C<4>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3507	0.073	3	120.2838	0.067	13	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|Br<1>,2|C<4>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0070	0.100	2	121.0070	0.010	2	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Br)(H){1|C<4>,2|O<2>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0220	0.000	1	121.0220	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,5]C[5,5]C[5,6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5,6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7600	0.000	1	120.7600	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,2|C<3>,5|C<4>}	H(C[6a]C[5,6a]C[6a])	119.4490	0.000	1	119.4490	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9510	0.000	1	119.9510	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|S<2>,2|C<3>,5|C<4>}	H(C[6a]C[5,6a]C[6a])	120.5260	0.021	2	120.3250	0.121	3	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	119.9230	0.000	1	120.3250	0.121	3	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9610	0.000	1	119.8093	0.025	7	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	119.8108	0.160	5	119.8093	0.025	7	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>,3|O<1>}	H(C[6a]C[5,6a]C[6a])	119.6500	0.000	1	119.8093	0.025	7	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,5]C[5,5]O[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,5]C[5,5]O[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7560	0.000	1	120.7560	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1005	0.013	2	120.1005	0.000	2	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0967	0.081	3	120.0967	0.007	3	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,5|C<4>}	H(C[6a]C[5,6a]C[6a])	119.5455	0.282	2	119.5455	0.080	2	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	119.9400	0.000	1	119.9400	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	119.7263	0.329	3	119.5309	1.742	14	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){2|C<3>,4|C<4>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	119.4775	1.493	11	119.5309	1.742	14	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4240	0.000	1	120.3080	0.019	5	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,1|P<4>,2|C<4>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2790	0.139	4	120.3080	0.019	5	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,1|P<4>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4345	0.018	2	120.4345	0.000	2	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,5]C[5,6a]Si[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|Si<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]Si[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,3|C<4>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.9795	0.069	2	119.9795	0.005	2	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,5|C<4>}	H(C[6a]C[5,6a]C[6a])	120.3750	0.000	1	120.0615	0.197	2	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	119.7480	0.000	1	120.0615	0.197	2	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	C[5,6a](C[5,5]N[5,5]O[5]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<4>}	C[5,6a](C[5,5]N[5,5]O[5]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|O<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.1515	0.124	2	120.1515	0.015	2	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C[6])(H)	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C[6])(H){1|C<2>,1|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,8|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5520	0.000	1	120.5520	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3915	0.152	2	121.0301	0.111	13	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2070	0.403	2	121.0301	0.111	13	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0015	0.041	4	121.0301	0.111	13	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7300	0.000	1	121.0301	0.111	13	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1180	0.110	2	121.0301	0.111	13	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|H<1>,3|C<4>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6110	0.585	2	121.0301	0.111	13	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<2>,1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3160	0.000	2	121.3160	0.000	2	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<2>,1|S<4>,2|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.6680	0.000	1	120.6680	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<3>,1|S<2>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8630	0.000	1	120.8630	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,1|S<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.1100	0.000	1	121.1100	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,5]C[5,5a]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,5a]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|S<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1710	0.000	2	121.1710	0.000	2	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1380	0.000	1	121.1380	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	121.1575	0.075	4	121.1575	0.006	4	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,5]C[5,6]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.1580	0.000	1	121.1580	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<2>,1|N<3>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1170	0.000	1	121.1170	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.4650	0.000	1	121.4650	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0650	0.000	1	121.1367	0.024	3	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.3150	0.000	1	121.1367	0.024	3	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0300	0.000	1	121.1367	0.024	3	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]Cl)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<2>,1|S<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4890	0.000	1	121.4890	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,5]C[3x5]C[5,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[3x5]C[5,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4800	0.000	1	121.4800	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,2|H<1>,3|C<4>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4445	0.203	2	121.4445	0.041	2	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|F<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5235	0.107	2	121.5235	0.011	2	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.7330	0.000	1	121.7330	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.2035	0.192	2	121.2035	0.037	2	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,1|O<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.5280	0.000	1	121.5280	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6350	0.000	2	121.6350	0.000	2	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,2|C<3>,2|H<1>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	121.2350	0.000	1	121.4640	0.105	2	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6930	0.000	1	121.4640	0.105	2	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,5]C[5]N[5]S[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H){1|H<1>,1|S<2>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]C[5]N[5]S[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.9410	0.000	1	121.9410	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H)	C[5,6a](C[5,5]N[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]N[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5600	0.000	1	121.5600	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]B[5,5]C[5]Si)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Si<4>,1|B<3>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]B[5,5]C[5]Si)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|B<3>,1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	119.8340	0.000	1	119.8340	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[3,5,5]C[5,6]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[3,5,5]C[5,6]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	115.2440	0.000	1	115.2440	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3750	0.000	1	120.6047	0.024	6	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7620	0.000	1	120.6047	0.024	6	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.5395	0.071	2	120.6047	0.024	6	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6500	0.000	1	120.6047	0.024	6	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7620	0.000	1	120.6047	0.024	6	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|P<3>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	118.9190	0.000	1	120.1762	0.736	10	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|P<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	118.6920	0.000	1	120.1762	0.736	10	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5630	0.379	3	120.1762	0.736	10	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4502	0.724	4	120.1762	0.736	10	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6610	0.000	1	120.1762	0.736	10	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]N)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]N)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8640	0.000	1	120.9645	0.020	2	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]N)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]N)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0650	0.000	1	120.9645	0.020	2	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[3,5,5]C[5]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,5]C[3,5,5]C[5]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8780	0.000	1	120.8780	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[3,5,5]C[5]O)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[3,5,5]C[5]O)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0360	0.000	1	121.0360	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[3,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]C[3,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5950	0.000	1	120.5950	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[3,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|N<4>,2|C<3>}	C[5,6a](C[5,5]C[3,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	H(C[6a]C[5,6a]C[6a])	120.4240	0.000	1	120.5610	0.038	2	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[3,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]C[3,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6980	0.000	1	120.5610	0.038	2	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[3,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[5,6a](C[5,5]C[3,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|H<1>,5|C<4>}	H(C[6a]C[5,6a]C[6a])	120.3150	0.000	1	120.4157	0.020	3	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[3,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]C[3,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,5|C<4>}	H(C[6a]C[5,6a]C[6a])	120.3550	0.000	1	120.4157	0.020	3	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[3,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]C[3,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	120.5770	0.000	1	120.4157	0.020	3	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[3,5]N[5]O[5])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,5]C[3,5]N[5]O[5])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9210	0.000	1	119.9210	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[3,5]N[5]O[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<2>}	C[5,6a](C[5,5]C[3,5]N[5]O[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	120.6960	0.232	2	120.6960	0.054	2	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[3x3,3x5,12x6]N[5,5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<6>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,5]C[3x3,3x5,12x6]N[5,5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Co<10>,1|C<3>,1|C<6>,1|O<1>,2|C<4>,2|H<1>,3|B<6>}	H(C[6a]C[5,6a]C[6a])	120.6170	0.000	1	120.6170	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[3x5,6]C[5,6a]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[3x5,6]C[5,6a]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9065	0.579	2	120.9065	0.335	2	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[3x5]C[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[3x5]C[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8390	0.157	5	120.8390	0.025	5	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[3x5]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,5]C[3x5]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.4332	0.983	5	120.4332	0.966	5	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[3x5]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,5]C[3x5]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8608	0.118	6	120.8608	0.014	6	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[4,5,5]C[5]H)(C[5,6a]N[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5,6a](C[5,5]C[4,5,5]C[5]H)(C[5,6a]N[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[6a]C[5,6a]C[6a])	120.7950	0.000	1	120.7950	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5,3x6]C[5]O)(C[5,6a]N[5,6,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5,6a](C[5,5]C[5,5,3x6]C[5]O)(C[5,6a]N[5,6,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2050	0.000	1	120.2050	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5,6,6]C[5,6a]O)(C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|O<2>}	C[5,6a](C[5,5]C[5,5,6,6]C[5,6a]O)(C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3280	0.000	1	120.3280	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5,6,6]C[5,6a]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,5]C[5,5,6,6]C[5,6a]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8050	0.000	1	120.8050	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5,6,6]C[5]Cl)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5,6,6]C[5]Cl)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6920	0.000	1	120.6920	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5,6,6]C[5]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5,6,6]C[5]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5352	0.201	5	120.5146	0.029	8	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5,6,6]C[5]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5,6,6]C[5]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4050	0.000	2	120.5146	0.029	8	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5,6,6]C[5]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,5,6,6]C[5]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6310	0.000	1	120.5146	0.029	8	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5,6,6]C[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,5]C[5,5,6,6]C[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6586	0.236	7	120.6823	0.054	9	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5,6,6]C[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,5]C[5,5,6,6]C[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9640	0.000	1	120.6823	0.054	9	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5,6,6]C[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,5]C[5,5,6,6]C[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5670	0.000	1	120.6823	0.054	9	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5,6]C[5,6a]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5,6]C[5,6a]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|Ru<11>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3307	0.690	4	120.3307	0.475	4	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5,6]C[5,6a]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,5,6]C[5,6a]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5500	0.000	1	120.5500	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5,6]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5,6]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5880	0.000	1	120.5880	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5,6]C[5]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,5]C[5,5,6]C[5]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3420	0.000	1	120.4945	0.047	2	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5,6]C[5]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,5]C[5,5,6]C[5]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6470	0.000	1	120.4945	0.047	2	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5,6]C[5]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5,6]C[5]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3970	0.000	1	120.3970	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5,6]C[5]O)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5,6]C[5]O)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6520	0.000	1	120.6520	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5,6]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,5]C[5,5,6]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4880	0.000	1	120.4880	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5,6]C[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,5]C[5,5,6]C[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2880	0.000	1	120.9550	0.222	2	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5,6]C[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,5]C[5,5,6]C[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6220	0.000	1	120.9550	0.222	2	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5,6]C[6a]O[5])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5,6]C[6a]O[5])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	118.6370	0.000	1	118.6370	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5,6]N[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|N<3>}	C[5,6a](C[5,5]C[5,5,6]N[5]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8770	0.042	2	120.8770	0.002	2	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5,6]O[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,5]C[5,5,6]O[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6700	0.000	1	120.6700	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5,6]O[5]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,5,6]O[5]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9410	0.147	2	120.9410	0.022	2	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5249	0.299	23	120.5249	0.089	23	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5,6a]C[5]C)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5,6a]C[5]C)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6140	0.069	2	120.6140	0.005	2	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5,6a]N[5]C)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,5,6a]N[5]C)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3165	0.218	2	120.3165	0.048	2	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5440	0.031	2	120.4739	0.095	18	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6213	0.133	3	120.4739	0.095	18	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,4|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2884	0.315	9	120.4739	0.095	18	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5410	0.000	1	120.4739	0.095	18	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9125	0.016	2	120.4739	0.095	18	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6160	0.000	1	120.4739	0.095	18	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]B[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|B<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]B[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<3>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4280	0.000	1	120.4280	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6255	0.166	2	120.6963	0.029	3	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|O<2>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8380	0.000	1	120.6963	0.029	3	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	119.7110	0.000	1	120.1312	0.085	4	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2880	0.132	2	120.1312	0.085	4	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2380	0.000	1	120.1312	0.085	4	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5,6]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[5,6a](C[5,5]C[5,5]C[5,6]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|N<3>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5800	0.000	1	120.5800	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8670	0.000	2	120.8670	0.000	2	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5,6]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5,6]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0940	0.000	1	120.0940	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|S<2>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6150	0.000	1	120.4328	0.284	65	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7520	0.000	1	120.4328	0.284	65	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,2|C<4>,4|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	119.7510	0.000	1	120.4328	0.284	65	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7740	0.000	1	120.4328	0.284	65	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8490	0.000	1	120.4328	0.284	65	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5440	0.007	2	120.4328	0.284	65	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4200	0.000	1	120.4328	0.284	65	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6890	0.000	1	120.4328	0.284	65	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5110	0.000	1	120.4328	0.284	65	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3440	0.000	1	120.4328	0.284	65	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7960	0.000	1	120.4328	0.284	65	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6510	0.000	1	120.4328	0.284	65	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6960	0.412	2	120.4328	0.284	65	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6950	0.000	1	120.4328	0.284	65	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0951	0.926	15	120.4328	0.284	65	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,1|S<2>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2440	0.000	1	120.4328	0.284	65	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2621	0.269	7	120.4328	0.284	65	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5600	0.000	1	120.4328	0.284	65	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6230	0.000	1	120.4328	0.284	65	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3210	0.000	1	120.4328	0.284	65	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8580	0.252	5	120.4328	0.284	65	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5415	0.004	2	120.4328	0.284	65	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6398	0.269	8	120.4328	0.284	65	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3790	0.000	1	120.4328	0.284	65	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3365	0.004	2	120.4328	0.284	65	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5160	0.000	1	120.4328	0.284	65	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5980	0.000	1	120.4328	0.284	65	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3040	0.098	2	120.4328	0.284	65	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5320	0.000	1	120.4328	0.284	65	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]Br)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]Br)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|S<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7750	0.000	1	120.6745	0.020	2	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]Br)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]Br)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5740	0.000	1	120.6745	0.020	2	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	119.6760	0.000	1	120.2407	0.268	3	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3520	0.000	1	120.2407	0.268	3	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6940	0.000	1	120.2407	0.268	3	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|N<3>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0150	0.000	1	120.3684	0.539	39	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2825	0.342	2	120.3684	0.539	39	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|I<1>,1|N<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	116.9400	0.000	1	120.3684	0.539	39	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3560	0.063	3	120.3684	0.539	39	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2555	0.746	2	120.3684	0.539	39	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9785	0.359	2	120.3684	0.539	39	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6010	0.000	1	120.3684	0.539	39	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2920	1.519	2	120.3684	0.539	39	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3960	0.000	1	120.3684	0.539	39	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5156	0.297	7	120.3684	0.539	39	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5630	0.000	1	120.3684	0.539	39	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6360	0.000	1	120.3684	0.539	39	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8640	0.000	1	120.3684	0.539	39	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5945	0.088	2	120.3684	0.539	39	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|H<1>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	120.1930	0.000	1	120.3684	0.539	39	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.4970	0.000	1	120.3684	0.539	39	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4767	0.271	3	120.3684	0.539	39	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2360	0.024	4	120.3684	0.539	39	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	H(C[6a]C[5,6a]C[6a])	120.9353	0.333	3	120.3684	0.539	39	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]F)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]F)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5500	0.000	1	120.5500	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]Fe)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Fe<10>,1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]Fe)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0610	0.000	1	120.9147	0.059	4	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]Fe)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]Fe)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8660	0.274	3	120.9147	0.059	4	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]Fe)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Fe<10>,1|C<3>,1|H<1>,1|S<2>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]Fe)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.6360	0.298	2	120.6360	0.089	2	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]Fe)(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Fe<10>,1|Si<4>,1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]Fe)(C[5,6a]C[6a]Si[5])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	120.2210	0.086	2	120.2210	0.007	2	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|C<3>,3|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6770	0.000	1	120.4673	0.083	23	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6235	0.120	2	120.4673	0.083	23	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2913	0.142	7	120.4673	0.083	23	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1220	0.000	1	120.4673	0.083	23	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,7|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4010	0.000	1	120.4673	0.083	23	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8370	0.000	1	120.4673	0.083	23	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3530	0.000	1	120.4673	0.083	23	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5845	0.515	4	120.4673	0.083	23	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3730	0.000	1	120.4673	0.083	23	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3040	0.000	1	120.4673	0.083	23	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6240	0.000	1	120.4673	0.083	23	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9060	0.000	1	120.4673	0.083	23	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5270	0.000	1	120.4673	0.083	23	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0977	0.129	3	120.3489	0.051	22	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,1|S<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4369	0.161	9	120.3489	0.051	22	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1390	0.000	1	120.3489	0.051	22	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5740	0.031	2	120.3489	0.051	22	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1210	0.000	1	120.3489	0.051	22	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2250	0.000	1	120.3489	0.051	22	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4870	0.075	2	120.3489	0.051	22	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0600	0.089	2	120.3489	0.051	22	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.7230	0.000	1	120.3489	0.051	22	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4730	0.000	1	120.6342	0.027	6	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7640	0.000	1	120.6342	0.027	6	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5195	0.132	2	120.6342	0.027	6	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8560	0.000	1	120.6342	0.027	6	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6730	0.000	1	120.6342	0.027	6	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|O<1>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4920	0.000	1	119.0015	4.443	2	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	117.5110	0.000	1	119.0015	4.443	2	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|C<4>,2|N<3>}	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3450	0.000	1	120.5911	0.061	15	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6595	0.313	2	120.5911	0.061	15	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1770	0.088	2	120.5911	0.061	15	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7467	0.184	3	120.5911	0.061	15	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<4>,1|S<4>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7360	0.000	1	120.5911	0.061	15	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6360	0.000	1	120.5911	0.061	15	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6455	0.232	4	120.5911	0.061	15	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[5,6a](C[5,5]C[5,5]C[5]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){4|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6540	0.000	1	120.5911	0.061	15	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.4630	0.179	3	120.5923	0.092	65	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5700	0.000	1	120.5923	0.092	65	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4660	0.000	1	120.5923	0.092	65	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7593	0.118	3	120.5923	0.092	65	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5643	0.195	3	120.5923	0.092	65	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5900	0.000	1	120.5923	0.092	65	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4690	0.000	1	120.5923	0.092	65	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	120.6777	0.079	3	120.5923	0.092	65	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5321	0.135	22	120.5923	0.092	65	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,5|C<4>}	H(C[6a]C[5,6a]C[6a])	120.5130	0.000	1	120.5923	0.092	65	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8040	0.000	1	120.5923	0.092	65	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	120.2433	0.323	3	120.5923	0.092	65	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4530	0.448	2	120.5923	0.092	65	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7070	0.000	1	120.5923	0.092	65	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	120.6850	0.123	2	120.5923	0.092	65	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5425	0.076	2	120.5923	0.092	65	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]C[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7461	0.518	15	120.5923	0.092	65	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Br<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9410	0.000	1	120.5348	0.317	4	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,2|O<2>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	119.7020	0.000	1	120.5348	0.317	4	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7480	0.045	2	120.5348	0.317	4	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0390	0.000	1	120.7568	0.037	5	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6880	0.000	1	120.7568	0.037	5	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5975	0.050	2	120.7568	0.037	5	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8620	0.000	1	120.7568	0.037	5	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|O<2>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3210	0.000	1	121.3210	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7010	0.000	1	120.7474	0.160	14	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6700	0.000	1	120.7474	0.160	14	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5730	0.000	1	120.7474	0.160	14	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.9870	0.000	1	120.7474	0.160	14	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.6532	0.215	10	120.7474	0.160	14	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]O[5])(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8420	0.229	2	120.8420	0.052	2	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5]Zr)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Zr<12>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]Zr)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1990	0.000	1	120.1990	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[5a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,4|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4710	0.000	1	120.6812	0.026	5	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,1|S<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8550	0.000	1	120.6812	0.026	5	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6290	0.051	2	120.6812	0.026	5	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[5a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8220	0.000	1	120.6812	0.026	5	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<4>,3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6750	0.000	1	120.4157	0.062	6	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4390	0.000	1	120.4157	0.062	6	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5670	0.157	2	120.4157	0.062	6	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1320	0.000	1	120.4157	0.062	6	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1140	0.000	1	120.4157	0.062	6	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4130	0.000	1	120.6065	0.018	4	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6560	0.000	1	120.6065	0.018	4	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6785	0.069	2	120.6065	0.018	4	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3840	0.000	2	120.5234	0.062	11	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	120.4338	0.258	5	120.5234	0.062	11	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	120.5690	0.020	2	120.5234	0.062	11	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]C[5,5]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8410	0.257	2	120.5234	0.062	11	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5,5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]N[5,5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7700	0.000	1	120.6717	0.021	3	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5,5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]N[5,5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6225	0.165	2	120.6717	0.021	3	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]C[5,5]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	120.6240	0.000	1	120.6290	0.000	2	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]C[5,5]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6340	0.000	1	120.6290	0.000	2	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9770	0.000	1	120.9770	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,5]C[5,5]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9330	0.000	1	120.9330	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0090	0.000	1	120.6971	0.372	44	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4057	0.352	4	120.6971	0.372	44	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7660	0.000	1	120.6971	0.372	44	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6005	0.170	2	120.6971	0.372	44	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,1|S<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5950	0.187	2	120.6971	0.372	44	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4945	0.047	2	120.6971	0.372	44	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|P<4>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6320	0.000	1	120.6971	0.372	44	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5060	0.267	2	120.6971	0.372	44	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6150	0.000	1	120.6971	0.372	44	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0015	0.264	4	120.6971	0.372	44	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5700	0.000	1	120.6971	0.372	44	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ir<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6500	0.000	1	120.6971	0.372	44	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ir<6>,1|O<2>,2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	122.1520	2.527	2	120.6971	0.372	44	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,4|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4090	0.000	1	120.6971	0.372	44	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|S<4>,2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6520	0.000	1	120.6971	0.372	44	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ni<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6833	0.277	4	120.6971	0.372	44	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ni<5>,1|O<2>,2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3090	0.000	1	120.6971	0.372	44	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,1|S<3>,2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7800	0.000	1	120.6971	0.372	44	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5750	0.000	1	120.6971	0.372	44	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7480	0.000	1	120.6971	0.372	44	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7320	0.000	1	120.6971	0.372	44	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Rh<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5090	0.020	2	120.6971	0.372	44	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Rh<8>,1|O<2>,2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	119.4320	0.000	1	120.6971	0.372	44	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1860	0.000	1	120.6971	0.372	44	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Zn<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9140	0.569	2	120.6971	0.372	44	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8605	0.152	2	120.6971	0.372	44	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Ni<5>,1|O<2>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9840	0.000	1	120.6971	0.372	44	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7290	0.068	2	120.6210	0.017	4	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5250	0.000	1	120.6210	0.017	4	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[5,6a](C[5,5]C[5,5]N[5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|S<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5010	0.000	1	120.6210	0.017	4	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]N)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]C[5,5]N[5]N)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0580	0.000	1	121.0580	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]N)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|N<3>}	C[5,6a](C[5,5]C[5,5]N[5]N)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6885	0.107	2	120.6885	0.011	2	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,5]C[5,5]N[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.5130	0.000	1	120.7441	0.285	8	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,5]C[5,5]N[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9087	0.228	6	120.7441	0.285	8	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]N[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,5]C[5,5]N[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9880	0.000	1	120.7441	0.285	8	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]O[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,5]C[5,5]O[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4510	0.000	1	120.4510	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5150	0.000	1	120.7606	0.046	9	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7580	0.000	1	120.7606	0.046	9	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1330	0.000	1	120.7606	0.046	9	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7370	0.065	2	120.7606	0.046	9	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8530	0.083	3	120.7606	0.046	9	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4060	0.000	1	120.7606	0.046	9	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7140	0.000	1	120.7140	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6a](C[5,5]C[5,5]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5730	0.132	2	121.1361	0.276	11	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,5]C[5,5]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4180	0.000	1	121.1361	0.276	11	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,5]C[5,5]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2733	0.561	7	121.1361	0.276	11	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,5]C[5,5]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0200	0.000	1	121.1361	0.276	11	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5a]2C[5,6a])(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5a]2C[5,6a])(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H){1|S<2>,2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5235	0.327	2	120.5235	0.107	2	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5a]C[5,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5a]C[5,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7960	0.000	1	120.7960	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|I<1>,2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7345	0.299	4	120.7012	0.058	6	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6345	0.094	2	120.7012	0.058	6	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6150	0.000	1	120.6150	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,5a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4300	0.000	1	120.5795	0.045	2	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,5]C[5,5a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7290	0.000	1	120.5795	0.045	2	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5020	0.000	1	120.5020	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6,6]N[5,5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,5]C[5,6,6]N[5,5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9460	0.000	1	120.9460	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9570	0.000	1	120.9570	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|S<4>,2|C<4>,7|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1650	0.000	1	120.4558	0.066	18	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3510	0.173	2	120.4558	0.066	18	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0810	0.000	1	120.4558	0.066	18	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5503	0.384	4	120.4558	0.066	18	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6120	0.000	1	120.4558	0.066	18	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6610	0.000	1	120.4558	0.066	18	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6160	0.040	4	120.4558	0.066	18	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0820	0.000	1	120.4558	0.066	18	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4970	0.000	1	120.4558	0.066	18	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5140	0.000	1	120.4558	0.066	18	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2260	0.000	1	120.4558	0.066	18	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9350	0.000	1	120.9350	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	120.3140	0.000	1	120.5360	0.075	32	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,5|C<4>}	H(C[6a]C[5,6a]C[6a])	120.5023	0.226	3	120.5360	0.075	32	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4460	0.216	3	120.5360	0.075	32	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	120.4916	0.289	18	120.5360	0.075	32	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6730	0.434	2	120.5360	0.075	32	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6570	0.068	3	120.5360	0.075	32	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9135	0.197	2	120.5360	0.075	32	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|O<1>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6840	0.000	1	120.6840	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0295	0.863	2	120.2890	0.575	3	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,5]C[5,6]C[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8080	0.000	1	120.2890	0.575	3	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,5|C<4>}	H(C[6a]C[5,6a]C[6a])	120.2440	0.000	1	120.5683	0.083	10	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7550	0.311	2	120.5683	0.083	10	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]C[5,6]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	120.5613	0.280	7	120.5683	0.083	10	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6390	0.011	2	120.6390	0.000	2	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4420	0.000	1	120.4420	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4650	0.000	1	121.4650	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4210	0.000	1	120.7028	0.035	4	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8045	0.002	2	120.7028	0.035	4	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7810	0.000	1	120.7028	0.035	4	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]2N[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]2N[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0170	0.158	2	121.0170	0.025	2	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]2N[5,5])(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]2N[5,5])(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6970	0.000	1	120.6970	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.7060	0.000	1	121.0735	0.244	4	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0190	0.000	1	121.0735	0.244	4	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|P<4>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4990	0.000	1	121.0735	0.244	4	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0700	0.000	1	121.0735	0.244	4	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[3,5]N[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3,5]N[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	120.7060	0.000	1	120.7060	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[3,5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3,5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|N<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6660	0.038	2	120.6660	0.001	2	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<4>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4170	0.000	1	120.2844	0.327	71	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|O<2>,3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7330	0.000	1	120.2844	0.327	71	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4743	0.760	12	120.2844	0.327	71	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2377	0.549	53	120.2844	0.327	71	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2690	0.000	1	120.2844	0.327	71	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){2|C<3>,4|C<4>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1617	0.134	3	120.2844	0.327	71	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3333	0.334	24	120.3333	0.112	24	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1789	0.107	20	120.3258	0.032	53	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4995	0.067	2	120.3258	0.032	53	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4118	0.172	9	120.3258	0.032	53	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6760	0.124	4	120.3258	0.032	53	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){4|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3489	0.075	18	120.3258	0.032	53	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]O)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6a]C[3x5]O)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7380	0.000	1	120.5460	0.074	2	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]O)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6a]C[3x5]O)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3540	0.000	1	120.5460	0.074	2	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|S<4>,2|H<1>,2|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4990	0.000	1	120.4990	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]O)(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]O)(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,2|N<3>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5480	0.000	1	120.5480	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]Si)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Si<3>,1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6a]C[3x5]Si)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|Si<3>,1|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2130	0.146	5	120.1747	0.469	7	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]Si)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6a]C[3x5]Si)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|Si<4>,1|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.0790	1.645	2	120.1747	0.469	7	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[4,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[4,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8230	0.016	2	120.8230	0.000	2	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[4x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,6a]C[4x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6170	0.000	1	120.6170	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]2)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]2)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6640	0.000	1	120.9967	0.136	3	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]2)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]2)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|S<4>,2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1630	0.325	2	120.9967	0.136	3	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|O<2>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7910	0.000	1	120.7910	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6190	0.000	1	120.5164	0.014	10	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7010	0.000	1	120.5164	0.014	10	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4493	0.086	3	120.5164	0.014	10	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4805	0.125	4	120.5164	0.014	10	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5740	0.000	1	120.5164	0.014	10	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4460	0.000	1	120.4460	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|N<2>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3930	0.187	2	120.5642	0.088	6	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6497	0.325	4	120.5642	0.088	6	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	119.3670	0.000	1	120.2410	0.573	3	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7000	0.000	1	120.2410	0.573	3	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6560	0.000	1	120.2410	0.573	3	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8010	0.301	2	120.6563	0.108	3	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.3670	0.000	1	120.6563	0.108	3	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]S[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]S[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5272	0.172	4	120.5272	0.029	4	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5905	0.278	2	120.5905	0.077	2	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6570	0.000	1	120.8253	0.044	3	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9095	0.214	2	120.8253	0.044	3	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5,6]N[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,6]N[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<3>,2|N<2>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5405	0.507	2	120.5405	0.257	2	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	120.7430	0.027	2	120.7430	0.001	2	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|O<1>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7860	0.000	1	120.8821	0.061	7	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5660	0.000	1	120.8821	0.061	7	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8960	0.079	2	120.8821	0.061	7	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|S<1>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0640	0.000	1	120.8821	0.061	7	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9835	0.442	2	120.8821	0.061	7	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6480	0.141	2	120.6570	0.042	9	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2590	0.000	1	120.6570	0.042	9	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6740	0.000	1	120.6570	0.042	9	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6220	0.000	1	120.6570	0.042	9	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,4|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6787	0.097	3	120.6570	0.042	9	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|S<1>,3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0260	0.000	1	120.6570	0.042	9	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<3>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7620	0.142	4	120.6415	0.054	12	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|N<2>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.4120	0.000	1	120.6415	0.054	12	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|N<2>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5445	0.605	2	120.6415	0.054	12	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<3>,2|N<2>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5863	0.060	3	120.6415	0.054	12	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6950	0.112	2	120.6415	0.054	12	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8180	0.000	1	120.9194	0.215	18	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9200	0.000	1	120.9194	0.215	18	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0530	0.000	1	120.9194	0.215	18	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<4>,4|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7100	0.013	2	120.9194	0.215	18	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,4|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8300	0.092	2	120.9194	0.215	18	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,4|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6800	0.000	1	120.9194	0.215	18	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<4>,5|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9920	0.000	1	120.9194	0.215	18	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|I<1>,1|S<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7840	0.000	1	120.9194	0.215	18	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2380	0.000	1	120.9194	0.215	18	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|I<1>,1|O<1>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6810	0.078	2	120.9194	0.215	18	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|I<1>,3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.6130	1.318	2	120.9194	0.215	18	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,4|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3510	0.000	1	120.9194	0.215	18	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5760	0.000	1	120.9194	0.215	18	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,4|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4700	0.000	1	120.9194	0.215	18	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7760	0.000	1	121.1843	0.413	3	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|N<2>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.9250	0.000	1	121.1843	0.413	3	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8520	0.000	1	121.1843	0.413	3	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7810	0.000	1	120.7810	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|O<1>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7620	0.000	1	120.6459	0.033	10	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6080	0.290	3	120.6459	0.033	10	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,4|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5610	0.006	2	120.6459	0.033	10	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<4>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,1|I<1>,2|H<1>,2|O<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4540	0.000	1	120.6459	0.033	10	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<4>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7657	0.088	3	120.6459	0.033	10	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9100	0.239	2	120.7070	0.152	3	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,2|O<2>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3010	0.000	1	120.7070	0.152	3	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8220	0.000	1	120.9200	0.071	4	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|I<1>,1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3070	0.000	1	120.9200	0.071	4	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|I<1>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6990	0.000	1	120.9200	0.071	4	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8520	0.000	1	120.9200	0.071	4	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8640	0.168	2	120.8640	0.028	2	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]Ge[5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|Ge<4>,1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]Ge[5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,3|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6395	0.101	4	120.6395	0.010	4	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<2>,2|C<3>,2|H<1>,2|N<2>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.2050	0.000	1	120.2631	0.905	10	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<3>,2|N<2>,3|H<1>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	120.5200	0.000	1	120.2631	0.905	10	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<3>,2|N<2>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1672	1.261	6	120.2631	0.905	10	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){3|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4515	0.011	2	120.2631	0.905	10	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8600	0.000	1	120.8600	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7640	0.000	1	120.7640	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]N[5]2)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]C[5,6a]N[5]2)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9710	0.000	1	120.9710	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,6a]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.5155	0.009	2	121.5155	0.000	2	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1500	0.099	3	121.2499	0.030	7	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,4|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4890	0.000	1	121.2499	0.030	7	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3910	0.000	1	121.2499	0.030	7	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0490	0.000	1	121.2499	0.030	7	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Pt<4>,1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3700	0.000	1	121.2499	0.030	7	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6170	0.000	1	120.7532	0.028	6	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6240	0.000	1	120.7532	0.028	6	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.7427	0.090	3	120.7532	0.028	6	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.0500	0.000	1	120.7532	0.028	6	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<2>}	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6790	0.000	1	120.6890	0.000	2	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	C[5,6a](C[5,5]C[5]N[5]O[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6990	0.000	1	120.6890	0.000	2	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5]N[5]S[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]C[5]N[5]S[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8390	0.000	1	120.9753	0.012	4	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5]N[5]S[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]C[5]N[5]S[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0520	0.068	2	120.9753	0.012	4	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5]N[5]S[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|S<3>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]C[5]N[5]S[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9580	0.000	1	120.9753	0.012	4	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	120.2045	0.093	2	120.4683	0.041	27	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7930	0.191	2	120.4683	0.041	27	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3280	0.000	1	120.4683	0.041	27	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4326	0.192	14	120.4683	0.041	27	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	120.5547	0.117	6	120.4683	0.041	27	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.4675	0.224	2	120.4683	0.041	27	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0380	0.053	3	120.9937	0.098	11	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7323	0.294	3	120.9937	0.098	11	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2170	0.107	2	120.9937	0.098	11	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0950	0.679	2	120.9937	0.098	11	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9960	0.000	1	120.9937	0.098	11	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|S<4>,2|C<4>}	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|C<3>,2|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7080	0.000	1	120.5302	0.017	5	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5730	0.000	1	120.5302	0.017	5	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	120.4320	0.122	2	120.5302	0.017	5	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5060	0.000	1	120.5302	0.017	5	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,1|S<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8200	0.000	1	120.8856	0.155	5	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8390	0.761	2	120.8856	0.155	5	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0690	0.000	1	120.8856	0.155	5	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8610	0.000	1	120.8856	0.155	5	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|S<4>,2|H<1>}	C[5,6a](C[5,5]N[5,5]C[5]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6380	0.000	1	120.6380	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|N<3>}	C[5,6a](C[5,5]N[5,5]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7890	0.000	1	120.7890	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.1910	0.170	3	121.1719	0.053	8	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9140	0.000	1	121.1719	0.053	8	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.5780	0.000	1	121.1719	0.053	8	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9740	0.000	1	121.1719	0.053	8	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1680	0.201	2	121.1719	0.053	8	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5]P)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<4>,3|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]P)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2270	0.000	1	121.2270	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[5a]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]N[5,5]C[5a]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8600	0.000	1	120.8600	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[6a]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]N[5,5]C[6a]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0890	0.000	1	121.0815	0.000	2	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[6a]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,5]N[5,5]C[6a]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0740	0.000	1	121.0815	0.000	2	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[6a]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,6a](C[5,5]N[5,5]C[6a]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|O<1>,3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5775	0.228	2	120.5390	0.031	3	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[6a]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<4>,3|C<3>}	C[5,6a](C[5,5]N[5,5]C[6a]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4620	0.000	1	120.5390	0.031	3	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]C[6a]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,5]N[5,5]C[6a]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9330	0.000	1	120.9330	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,5]O[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,5]N[5,5]O[5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0550	0.000	1	121.0550	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]N[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2350	0.000	1	120.3620	0.042	5	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]N[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5010	0.069	3	120.3620	0.042	5	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	C[5,6a](C[5,5]N[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]N[5,6]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	120.0720	0.000	1	120.3620	0.042	5	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]I)(H)	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]I)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|I<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8140	0.000	1	121.8140	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]N)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9810	0.000	1	121.9810	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3030	0.283	2	121.3030	0.080	2	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]N)(H){1|Br<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<4>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.5838	0.338	5	119.5838	0.114	5	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]N)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|S<4>,2|C<4>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.7370	0.000	1	121.7370	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,2|N<3>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4760	0.000	1	121.4760	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|N<3>,1|N<4>,2|C<3>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0755	0.005	2	121.1287	0.004	4	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]N)(H)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1820	0.027	2	121.1287	0.004	4	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5]C[3,5]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,4|C<4>}	C[5,6a](C[5,5]C[3,5]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|O<2>,3|C<4>,7|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4410	0.000	1	120.4410	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5]C[5,5,6,6]C[5]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5,6,6]C[5]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5950	0.000	1	120.5950	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,1|S<2>,2|O<2>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0730	0.000	1	121.0730	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<4>,1|O<2>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4395	0.593	2	120.4395	0.352	2	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0760	0.000	1	121.0760	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,4|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3830	0.000	1	120.9043	0.118	12	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,3|O<2>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8540	0.000	1	120.9043	0.118	12	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,4|O<2>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3470	0.000	1	120.9043	0.118	12	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,4|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5973	0.061	4	120.9043	0.118	12	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|O<2>,3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1758	0.137	5	120.9043	0.118	12	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2540	0.000	1	121.2997	0.961	3	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	122.3020	0.000	1	121.2997	0.961	3	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3430	0.000	1	121.2997	0.961	3	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|O<2>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0420	0.000	1	121.1967	0.024	3	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|O<2>}	H(C[6a]C[5,6a]C[6a])	121.2740	0.110	2	121.1967	0.024	3	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1260	0.260	3	121.1260	0.068	3	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5]C[5,5a]C[5,6a]2)(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5a]C[5,6a]2)(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3480	0.000	1	120.3480	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|I<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	119.6760	0.000	1	120.6450	1.878	2	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|I<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	121.6140	0.000	1	120.6450	1.878	2	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|I<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	121.8160	1.485	2	121.4055	3.539	4	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|I<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9950	2.782	2	121.4055	3.539	4	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<4>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2827	0.141	6	120.2827	0.020	6	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3255	0.138	2	120.3255	0.019	2	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5150	0.000	1	120.5150	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9750	0.000	1	120.9310	0.004	2	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8870	0.000	1	120.9310	0.004	2	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9220	0.462	4	120.5762	0.162	19	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9225	0.045	2	120.5762	0.162	19	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1683	0.047	6	120.5762	0.162	19	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){2|C<3>,4|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6063	0.318	6	120.5762	0.162	19	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){3|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7670	0.000	1	120.5762	0.162	19	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3630	0.000	1	121.3630	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5]C[5,6a]N[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]N[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,1|S<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2400	0.000	1	121.2400	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H)	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,5]N[5,5]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7465	0.139	2	120.7465	0.019	2	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]N[6a]N[6])(H)	C[5,6a](C[5,5]C[5,6]C[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]N[6a]N[6])(H){1|C<3>,1|O<2>,5|C<4>}	C[5,6a](C[5,5]C[5,6]C[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|N<3>,4|H<1>,5|C<4>}	H(C[6a]C[5,6a]C[6a])	121.1690	0.000	1	121.1690	0.000	1	120.5744	0.305	1236	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:N[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]N[5,6a]C[5,5])(C[6a]N[6a]O)(H)	C[5,6a](C[5,5]C[5,5]O[5]H)(N[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]N[5,6a]C[5,5])(C[6a]N[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,5]C[5,5]O[5]H)(N[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	H(C[6a]C[5,6a]C[6a])	120.3670	0.000	1	120.3670	0.000	1	120.3670	0.000	1	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,5|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3770	0.000	1	121.3770	0.000	1	120.7104	0.360	55	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6,6]C[3x6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6,6]C[3x6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.7290	0.000	1	119.7290	0.000	1	120.7104	0.360	55	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]C)(H){1|C<3>,1|N<3>,1|O<2>,3|C<4>}	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,5|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	119.2150	0.000	1	119.2150	0.000	1	120.7104	0.360	55	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6,6]C[3x6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6,6]C[3x6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8990	0.000	1	121.0373	0.080	4	120.7104	0.360	55	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6,6]C[3x6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6,6]C[3x6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1980	0.000	1	121.0373	0.080	4	120.7104	0.360	55	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6,6]C[3x6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6,6]C[3x6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0260	0.441	2	121.0373	0.080	4	120.7104	0.360	55	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[3x6]C[5,5]C[6,6])(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6,6]C[3x6]C[5,5]C[6,6])(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,3|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1420	0.000	1	121.1420	0.000	1	120.7104	0.360	55	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[3x6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6,6]C[3x6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6970	0.000	1	120.6970	0.000	1	120.7104	0.360	55	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[3x6]S[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5,6a](C[5,6,6]C[3x6]S[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0090	0.000	1	121.0090	0.000	1	120.7104	0.360	55	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[5,3x6]C[5,6,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6,6]C[5,3x6]C[5,6,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9450	0.000	1	120.9450	0.000	1	120.7104	0.360	55	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[5,3x6]C[5,6,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6,6]C[5,3x6]C[5,6,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8538	0.197	4	120.8538	0.039	4	120.7104	0.360	55	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[5,3x6]C[6,6a]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6,6]C[5,3x6]C[6,6a]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0170	0.000	1	121.0170	0.000	1	120.7104	0.360	55	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[5,5,6,6]C[5,6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6,6]C[5,5,6,6]C[5,6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2220	0.000	1	120.2220	0.000	1	120.7104	0.360	55	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[5,6,6]C[3x6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6a](C[5,6,6]C[5,6,6]C[3x6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4910	0.000	1	120.4910	0.000	1	120.7104	0.360	55	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[5,6,6]C[3x6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6,6]C[5,6,6]C[3x6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3820	0.000	1	119.2950	2.363	2	120.7104	0.360	55	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[5,6,6]C[3x6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6,6]C[5,6,6]C[3x6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	118.2080	0.000	1	119.2950	2.363	2	120.7104	0.360	55	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1595	1.900	2	120.4803	2.114	3	120.7104	0.360	55	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1220	0.000	1	120.4803	2.114	3	120.7104	0.360	55	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[5,6,6]C[3x6]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[5,6a](C[5,6,6]C[5,6,6]C[3x6]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|S<4>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5480	0.000	1	120.5480	0.000	1	120.7104	0.360	55	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[5,6,6]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6,6]C[5,6,6]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9515	0.077	2	120.9515	0.006	2	120.7104	0.360	55	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6620	0.000	1	120.6620	0.000	1	120.7104	0.360	55	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[5,6,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6,6]C[5,6,6]C[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0005	0.008	2	121.0005	0.000	2	120.7104	0.360	55	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5415	0.142	2	120.5730	0.010	5	120.7104	0.360	55	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,4|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6300	0.000	1	120.5730	0.010	5	120.7104	0.360	55	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5760	0.124	2	120.5730	0.010	5	120.7104	0.360	55	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1580	0.000	1	121.1580	0.000	1	120.7104	0.360	55	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[5,6,6]C[6]O[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6,6]C[5,6,6]C[6]O[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9060	0.000	1	120.9060	0.000	1	120.7104	0.360	55	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6330	0.000	1	120.6200	0.000	2	120.7104	0.360	55	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6070	0.000	1	120.6200	0.000	2	120.7104	0.360	55	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1560	0.000	1	120.7165	0.141	4	120.7104	0.360	55	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8945	0.070	2	120.7165	0.141	4	120.7104	0.360	55	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9210	0.000	1	120.7165	0.141	4	120.7104	0.360	55	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6,6]C[5,6]C[6,6]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7385	0.332	2	120.7385	0.110	2	120.7104	0.360	55	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6,6]C[6,6,6a]C[5,6]C[6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){5|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7370	0.000	1	120.7370	0.000	1	120.7104	0.360	55	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]C[6,6a]C[5,6]C[6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6,6]C[6,6a]C[5,6]C[6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6110	0.000	1	120.6110	0.000	1	120.7104	0.360	55	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]N[5,6,6]C[3x6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6,6]N[5,6,6]C[3x6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7720	0.000	1	120.9700	0.031	3	120.7104	0.360	55	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6,6]N[5,6,6]C[3x6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6,6]N[5,6,6]C[3x6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0690	0.051	2	120.9700	0.031	3	120.7104	0.360	55	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5885	0.105	2	121.5885	0.011	2	120.7104	0.360	55	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6,6]C[5,5,6,6]C[5,3x6]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]O)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6,6]C[5,5,6,6]C[5,3x6]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,2|O<2>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8310	0.000	1	120.8310	0.000	1	120.7104	0.360	55	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,4|C<4>}	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7505	0.375	2	120.7505	0.141	2	120.7104	0.360	55	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2380	0.000	1	120.2380	0.000	1	120.7104	0.360	55	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a,6a]O)(H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a,6a]O)(H){6|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0840	0.000	1	121.0840	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]2)(H){1|H<1>,7|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,8|C<3>}	H(C[6a]C[5,6a]C[6a])	119.6050	0.000	1	119.6050	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9070	0.000	1	120.9070	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1150	0.000	1	121.2963	0.035	3	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2840	0.000	1	121.2963	0.035	3	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|Br<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4900	0.000	1	121.2963	0.035	3	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<2>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6710	0.000	1	121.6710	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7600	0.000	1	120.7600	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2270	0.000	1	121.2270	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|Br<1>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0810	0.000	1	121.1665	0.015	2	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|Br<1>,1|S<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2520	0.000	1	121.1665	0.015	2	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,3|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.1345	0.238	2	121.1345	0.057	2	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0745	0.006	2	121.0745	0.000	2	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3895	0.206	4	121.3895	0.042	4	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8560	0.000	1	120.8560	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2840	0.000	1	121.3217	0.004	3	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,3|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.2900	0.000	1	121.3217	0.004	3	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3910	0.000	1	121.3217	0.004	3	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6]C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3750	0.000	1	121.3750	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9900	0.000	1	120.9900	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|S<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2330	0.000	1	121.2330	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H)	C[5,6a](C[5,6]N[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6]N[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<1>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2735	0.131	2	121.2735	0.017	2	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<4>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2050	0.000	1	120.2543	0.078	3	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	120.5550	0.000	1	120.2543	0.078	3	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|H<1>,2|C<4>,2|O<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.0030	0.000	1	120.2543	0.078	3	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6]C[5,6]C[5]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6]C[5,6]C[5]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1840	0.000	1	120.1840	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6]C[5,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<2>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1760	0.000	1	120.1760	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.6380	0.000	1	119.6380	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,5|C<4>}	H(C[6a]C[5,6a]C[6a])	119.7805	0.342	2	119.7805	0.117	2	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|I<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.8240	0.000	1	120.1782	0.124	4	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	120.4790	0.062	2	120.1782	0.124	4	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|P<4>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	119.9310	0.000	1	120.1782	0.124	4	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2140	0.000	1	120.2140	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	119.7870	0.000	1	119.9683	0.060	3	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2470	0.000	1	119.9683	0.060	3	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<4>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.8710	0.000	1	119.9683	0.060	3	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6]C[6,6a]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.0150	0.000	1	120.0150	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7260	0.000	1	120.7260	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9200	0.000	1	119.9200	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6]C[6,6a]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6]C[6,6a]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	119.9310	0.000	1	119.9310	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6]N[5,6]C[6]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>,1|S<4>,2|C<4>}	C[5,6a](C[5,6]N[5,6]C[6]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.8900	0.000	1	119.8900	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H)	C[5,6a](C[5,6]N[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6]N[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,4|C<3>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	120.3080	0.023	4	120.3080	0.001	4	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6]C[3x6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[3x6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2130	0.000	1	121.2130	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<1>,2|C<2>,2|C<3>,2|H<1>,2|N<3>}	H(C[6a]C[5,6a]C[6a])	120.6470	0.000	1	120.7985	0.046	2	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9500	0.000	1	120.7985	0.046	2	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|S<4>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9750	0.000	1	120.9750	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,3|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.1345	0.125	2	121.1345	0.016	2	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.8380	0.000	1	121.8380	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|N<2>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1390	0.000	1	121.1390	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5270	0.000	1	121.2228	0.071	5	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0030	0.000	1	121.2228	0.071	5	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1425	0.351	2	121.2228	0.071	5	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2990	0.000	1	121.2228	0.071	5	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6]C[5a,6]C[5,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5a,6]C[5,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9810	0.000	1	120.9810	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2005	0.173	2	121.4502	0.305	4	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<2>,1|C<4>,1|H<1>,1|O<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	122.2640	0.000	1	121.4502	0.305	4	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1360	0.000	1	121.4502	0.305	4	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6]C[5a,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6]C[5a,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3040	0.000	1	121.3040	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6]C[5a,6]C[6,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6]C[5a,6]C[6,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3550	0.000	1	121.3550	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<2>,1|O<1>,2|C<3>,2|H<1>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	117.7550	0.000	1	119.4525	5.763	2	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1500	0.000	1	119.4525	5.763	2	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6]C[6,6a]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0620	0.000	1	121.0620	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.7980	0.000	1	121.7980	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6]C[6,6a]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6]C[6,6a]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|O<1>,1|S<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2290	0.000	1	121.0050	0.100	2	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6]C[6,6a]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6]C[6,6a]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,1|S<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7810	0.000	1	121.0050	0.100	2	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H)	C[5,6a](C[5,6]N[5,6]C[6a]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,1|S<4>,3|C<3>}	C[5,6a](C[5,6]N[5,6]C[6a]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,2|O<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0890	0.000	1	121.0890	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6360	0.000	1	121.6360	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|O<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.9160	0.000	1	121.3200	0.326	2	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|N<2>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.7240	0.000	1	121.3200	0.326	2	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|F<1>,1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.7640	0.000	1	121.7640	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.6610	0.069	2	121.6157	0.009	3	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,2|O<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.5250	0.000	1	121.6157	0.009	3	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6]C[6,6a]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.8670	0.000	1	121.8670	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)(H)	C[5,6a](C[5,6]C[6,6a]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6]C[6,6a]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,1|S<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3470	0.000	1	121.3470	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]B[6]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]B[6]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<3>,4|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3965	0.220	2	120.3965	0.048	2	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[3x3,3x5,12x6]N[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<6>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6]C[3x3,3x5,12x6]N[5,6]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Co<10>,1|C<3>,1|C<6>,1|O<1>,2|C<4>,2|H<1>,3|B<6>}	H(C[6a]C[5,6a]C[6a])	120.7040	0.000	1	120.7040	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[4,6]C[5,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[4,6]C[5,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7885	0.108	4	120.7885	0.012	4	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,5,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,5,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|O<2>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1810	0.000	1	120.1810	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,5,6]C[6,6a]H)(C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,5,6]C[6,6a]H)(C[5,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0120	0.000	1	121.0120	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,5,6]C[6,6a]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,5,6]C[6,6a]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7510	0.000	1	120.7510	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6]C[5,5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5350	0.000	1	120.5350	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0850	0.000	1	121.0850	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,5,6]C[6]F)(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,6]C[5,5,6]C[6]F)(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9770	0.000	1	120.9770	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5300	0.000	1	120.9184	0.217	5	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7040	0.000	1	120.9184	0.217	5	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8435	0.172	2	120.9184	0.217	5	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6710	0.000	1	120.9184	0.217	5	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,4|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5630	0.000	1	120.5630	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7310	0.000	1	120.7310	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,5,6]C[6]O)(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6]C[5,5,6]C[6]O)(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1813	0.781	3	120.1813	0.609	3	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,5,6]C[6]Ru)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|Ru<11>,1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6]C[5,5,6]C[6]Ru)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0468	0.809	4	121.0468	0.654	4	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6,6]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6,6]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3440	0.000	2	120.3440	0.000	2	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6,6]C[6,6a]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]C[5,6,6]C[6,6a]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3910	0.000	1	120.3910	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6,6]C[6]C)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6,6]C[6]C)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6780	0.000	1	120.6780	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7210	0.000	1	120.6810	0.001	3	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6610	0.000	2	120.6810	0.001	3	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6,6]C[6]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]C[5,6,6]C[6]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6750	0.000	1	120.6750	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6,6]C[6]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6]C[5,6,6]C[6]O)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0710	0.000	1	121.0710	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6,6]C[6]Ru)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|Ru<11>,1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6,6]C[6]Ru)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6380	0.000	1	120.6380	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6,6a]C[6,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6,6a]C[6,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2525	0.062	2	120.3040	0.021	6	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6,6a]C[6,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6,6a]C[6,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3298	0.176	4	120.3040	0.021	6	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4480	0.000	1	120.4480	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6,6a]C[6]O)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6]C[5,6,6a]C[6]O)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6715	0.125	2	120.6715	0.016	2	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8210	0.000	1	120.6757	0.218	14	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7480	0.000	1	120.6757	0.218	14	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.0810	0.000	1	120.6757	0.218	14	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8595	0.006	2	120.6757	0.218	14	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4987	0.032	3	120.6757	0.218	14	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6710	1.465	2	120.6757	0.218	14	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6640	0.000	1	120.6757	0.218	14	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,1|S<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0080	0.000	1	120.6757	0.218	14	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<2>,1|C<4>,1|H<1>,1|O<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8220	0.000	1	120.6757	0.218	14	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.7590	0.000	1	120.6757	0.218	14	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]N[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]N[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2540	0.000	1	121.2540	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[5]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6]C[5,6]C[5]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2900	0.000	1	121.2900	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[5a]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|N<2>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[5a]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5390	0.000	1	120.2380	0.181	2	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[5a]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[5a]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<3>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9370	0.000	1	120.2380	0.181	2	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6630	0.000	1	120.6470	0.060	4	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9870	0.000	1	120.6470	0.060	4	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4690	0.000	2	120.6470	0.060	4	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,4|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7320	0.000	1	120.7317	0.059	3	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7315	0.344	2	120.7317	0.059	3	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5570	0.000	1	120.5570	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5020	0.000	1	120.5020	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6,6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3450	0.000	1	120.3450	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7813	0.169	6	120.7813	0.029	6	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<3>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5960	0.000	1	120.7477	0.114	24	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4800	0.000	1	120.7477	0.114	24	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3215	0.276	2	120.7477	0.114	24	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6130	0.000	1	120.7477	0.114	24	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4590	0.000	1	120.7477	0.114	24	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6410	0.000	1	120.7477	0.114	24	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7780	0.257	2	120.7477	0.114	24	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7315	0.224	2	120.7477	0.114	24	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1038	0.382	6	120.7477	0.114	24	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8680	0.000	1	120.7477	0.114	24	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,2|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8910	0.034	2	120.7477	0.114	24	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|P<4>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4885	0.315	2	120.7477	0.114	24	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7690	0.000	1	120.7477	0.114	24	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4740	0.000	1	120.7477	0.114	24	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	122.8880	0.000	1	121.1853	2.752	3	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	119.5740	0.000	1	121.1853	2.752	3	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0940	0.000	1	121.1853	2.752	3	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1030	0.000	1	120.2380	0.036	2	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3730	0.000	1	120.2380	0.036	2	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]N[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]N[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	122.2590	0.000	1	122.2590	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]Cl)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]Cl)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,1|S<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7710	0.130	2	120.7710	0.017	2	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]Cr)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|Cr<9>,1|C<3>,1|C<5>,1|H<1>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]Cr)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Pd<5>,1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5927	0.080	4	120.6162	0.032	6	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]Cr)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|Cr<9>,1|C<3>,1|C<5>,1|H<1>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]Cr)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Pd<6>,1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9240	0.000	1	120.6162	0.032	6	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]Cr)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|Cr<9>,1|C<3>,1|H<1>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]Cr)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4020	0.000	1	120.6162	0.032	6	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]Cr)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|Cr<9>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]Cr)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5987	0.293	3	120.5987	0.086	3	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|C<3>,3|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	119.5437	0.727	3	120.5626	0.725	15	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5450	0.000	1	120.5626	0.725	15	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3340	0.000	1	120.5626	0.725	15	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8380	0.120	2	120.5626	0.725	15	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	122.9460	0.000	1	120.5626	0.725	15	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5750	0.000	1	120.5626	0.725	15	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6164	0.118	5	120.5626	0.725	15	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6500	0.000	1	120.5626	0.725	15	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5680	0.585	4	120.2878	0.510	11	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2420	0.000	2	120.2878	0.510	11	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5020	0.000	1	120.2878	0.510	11	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|S<4>,4|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5245	0.144	2	120.2878	0.510	11	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4560	0.000	1	120.2878	0.510	11	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	118.4030	0.000	1	120.2878	0.510	11	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4790	0.000	1	121.3494	5.484	8	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2740	0.065	2	121.3494	5.484	8	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){2|C<3>,2|O<2>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7690	0.000	1	121.3494	5.484	8	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5140	0.000	1	121.3494	5.484	8	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	123.8365	4.649	2	121.3494	5.484	8	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8120	0.000	1	121.3494	5.484	8	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[5,6a](C[5,6]C[5,6]C[6]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|S<4>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4330	0.000	1	120.5133	0.043	3	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[5,6a](C[5,6]C[5,6]C[6]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|S<4>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3590	0.000	1	120.5133	0.043	3	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[5,6a](C[5,6]C[5,6]C[6]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7480	0.000	1	120.5133	0.043	3	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5580	0.000	1	120.5330	0.240	5	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2830	0.836	2	120.5330	0.240	5	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8820	0.000	1	120.5330	0.240	5	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6590	0.000	1	120.5330	0.240	5	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9650	0.000	1	120.7490	0.037	3	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5950	0.000	1	120.7490	0.037	3	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,2|C<3>,2|O<2>}	C[5,6a](C[5,6]C[5,6]C[6]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6870	0.000	1	120.7490	0.037	3	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]Rh)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|Rh<8>,1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]Rh)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3630	0.000	1	120.3630	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6]Ru)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|Ru<11>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]Ru)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8720	0.000	1	120.8720	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5930	0.000	1	120.2493	0.148	3	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,7|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0775	0.346	2	120.2493	0.148	3	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1140	0.000	1	121.1140	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6a]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6a]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.8680	0.000	1	121.3330	0.572	2	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]C[6a]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6]C[5,6]C[6a]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7980	0.000	1	121.3330	0.572	2	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5583	0.174	6	120.5687	0.023	8	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.5420	0.000	1	120.5687	0.023	8	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6]C[5,6]N[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6580	0.000	1	120.5687	0.023	8	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6780	0.000	1	120.7463	0.114	8	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5505	0.334	4	120.7463	0.114	8	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0300	0.183	3	120.7463	0.114	8	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6]C[5,6]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2440	0.000	1	121.1170	0.014	3	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6]C[5,6]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0535	0.054	2	121.1170	0.014	3	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]N[6,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]N[6,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Se<2>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8020	0.000	1	120.8020	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]N[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[5,6a](C[5,6]C[5,6]N[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5340	0.000	1	120.5340	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]N[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6]C[5,6]N[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4230	0.000	1	120.4230	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	122.3460	0.000	1	120.9610	0.485	6	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	120.8910	0.000	1	120.9610	0.485	6	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7360	0.000	1	120.9610	0.485	6	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,4|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5770	0.232	2	120.9610	0.485	6	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.6390	0.000	1	120.9610	0.485	6	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]N[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6]C[5,6]N[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0390	0.000	1	121.0390	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]O[5,6]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6a](C[5,6]C[5,6]O[5,6]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|H<1>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	120.9120	0.000	1	121.1850	0.115	4	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]O[5,6]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6a](C[5,6]C[5,6]O[5,6]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8990	0.000	1	121.1850	0.115	4	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]O[5,6]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5,6a](C[5,6]C[5,6]O[5,6]H)(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.4645	0.180	2	121.1850	0.115	4	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]O[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6]C[5,6]O[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8020	0.000	1	120.8020	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]O[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6]C[5,6]O[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6543	0.670	4	120.7008	0.348	5	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]O[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6]C[5,6]O[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8870	0.000	1	120.7008	0.348	5	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7410	0.076	3	120.8312	0.179	8	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7040	0.000	1	120.8312	0.179	8	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8580	0.000	1	120.8312	0.179	8	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5350	0.000	1	120.8312	0.179	8	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1650	0.942	2	120.8312	0.179	8	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.5160	0.000	1	120.5160	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]O[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6]C[5,6]O[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9135	0.134	2	120.9135	0.018	2	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]S[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6]C[5,6]S[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6015	0.120	2	120.6015	0.014	2	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6]S[6]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|S<2>,1|S<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]S[6]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4240	0.205	2	120.4240	0.042	2	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6a]C[5,6]S[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6]C[5,6a]C[5,6]S[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|S<2>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6910	0.112	4	120.6910	0.012	4	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6a]C[5a,6]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6a]C[5a,6]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|I<1>,2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7580	0.066	2	120.7580	0.004	2	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6528	0.218	31	120.6528	0.048	31	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	121.5796	0.121	5	121.5796	0.015	5	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5180	0.000	1	120.5180	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6a]C[6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.8365	1.664	4	121.8365	2.770	4	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5,6a]Ge[6]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|Ge<4>,1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6a]Ge[6]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|O<2>,3|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6870	0.058	2	120.6870	0.003	2	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8260	0.000	1	120.8260	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|Br<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	118.2660	0.000	1	120.3585	0.823	11	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1520	0.000	1	120.3585	0.823	11	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4350	1.055	2	120.3585	0.823	11	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.0480	0.000	1	120.3585	0.823	11	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3970	0.249	3	120.3585	0.823	11	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6095	0.077	2	120.3585	0.823	11	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,2|C<3>,2|N<3>}	C[5,6a](C[5,6]C[5]C[6]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1980	0.000	1	120.3585	0.823	11	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.1550	0.000	1	120.8115	0.484	11	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|N<2>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5270	0.000	1	120.8115	0.484	11	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0250	0.000	1	120.8115	0.484	11	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2800	0.020	2	120.8115	0.484	11	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5330	0.000	1	120.8115	0.484	11	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3405	0.916	4	120.8115	0.484	11	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7650	0.000	1	120.8115	0.484	11	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5]N[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|N<3>}	C[5,6a](C[5,6]C[5]N[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7340	0.000	1	120.7340	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5a,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6]C[5a,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4570	0.000	1	120.4570	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5265	0.353	2	120.4846	0.115	11	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6870	0.000	1	120.4846	0.115	11	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8340	0.000	1	120.4846	0.115	11	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2050	0.310	4	120.4846	0.115	11	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3060	0.000	1	120.4846	0.115	11	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8155	0.077	2	120.4846	0.115	11	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5a,6]C[5]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6]C[5a,6]C[5]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6950	0.000	1	120.6950	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5a,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6]C[5a,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4870	0.257	2	120.6731	0.045	7	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5a,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6]C[5a,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7476	0.161	5	120.6731	0.045	7	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5a,6]C[6,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6]C[5a,6]C[6,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6760	0.000	1	120.7803	0.173	6	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5a,6]C[6,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6]C[5a,6]C[6,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7660	0.608	3	120.7803	0.173	6	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5a,6]C[6,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6]C[5a,6]C[6,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8540	0.320	2	120.7803	0.173	6	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5a,6]N[5,6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6]C[5a,6]N[5,6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8400	0.000	1	120.8400	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5a,6]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5a,6]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9355	0.233	2	120.9355	0.054	2	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5a,6]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6]C[5a,6]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2290	0.000	1	121.2290	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[5a,6]O[5,6]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6]C[5a,6]O[5,6]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8410	0.074	3	120.8410	0.006	3	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7800	0.000	1	120.7521	0.144	18	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9160	0.000	2	120.7521	0.144	18	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<2>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4830	0.000	1	120.7521	0.144	18	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.7790	0.000	1	120.7521	0.144	18	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8620	0.000	1	120.7521	0.144	18	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>,4|C<4>}	H(C[6a]C[5,6a]C[6a])	120.3170	0.000	1	120.7521	0.144	18	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5628	0.353	6	120.7521	0.144	18	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,1|S<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1820	0.000	1	120.7521	0.144	18	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6895	0.008	2	120.7521	0.144	18	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8920	0.000	1	120.7521	0.144	18	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6550	0.000	1	120.7521	0.144	18	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[6,6]C[5]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8630	0.000	1	120.8630	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6]C[5]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6]C[6,6]C[5]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7590	0.000	1	120.7590	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[6,6]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.7170	0.000	2	121.7170	0.000	2	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6]N[5,6]O)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<4>}	C[5,6a](C[5,6]C[6,6]N[5,6]O)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<3>,2|O<1>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6140	0.000	1	120.6140	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6]O[5,6]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[6,6]O[5,6]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7120	0.000	1	120.8980	0.069	2	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6]O[5,6]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[6,6]O[5,6]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|O<2>,3|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0840	0.000	1	120.8980	0.069	2	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6]O[5,6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]C[6,6]O[5,6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3790	0.000	1	121.3790	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6]C[6,6a]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7330	0.000	1	120.7330	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4998	0.123	4	121.0463	0.063	73	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0042	0.167	20	121.0463	0.063	73	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0054	0.240	27	121.0463	0.063	73	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9497	0.220	8	121.0463	0.063	73	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]2N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1109	0.286	14	121.0463	0.063	73	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8015	0.298	4	121.1537	0.296	44	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.7070	0.000	1	121.1537	0.296	44	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1757	0.553	39	121.1537	0.296	44	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]2S[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]2S[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1913	0.088	3	120.2975	0.024	6	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]2S[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]2S[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4415	0.162	2	120.2975	0.024	6	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]2S[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]2S[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<1>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3280	0.000	1	120.2975	0.024	6	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]2Se[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|Se<2>,1|H<1>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]2Se[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4670	0.000	1	120.4670	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9150	0.215	2	120.9150	0.046	2	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6780	0.000	1	120.6780	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9250	0.000	1	120.6615	0.139	2	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<4>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5,6]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3980	0.000	1	120.6615	0.139	2	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H){4|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0240	0.000	1	121.0240	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7160	0.000	1	120.5295	0.033	8	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3800	0.000	2	120.5295	0.033	8	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4553	0.162	3	120.5295	0.033	8	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5770	0.000	1	120.5295	0.033	8	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8170	0.000	1	120.5295	0.033	8	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5455	0.057	2	120.6397	0.062	9	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,5|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7360	0.000	1	120.6397	0.062	9	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4143	0.188	3	120.6397	0.062	9	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Si<4>,1|O<1>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8260	0.000	1	120.6397	0.062	9	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0640	0.000	1	120.6397	0.062	9	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){6|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7970	0.000	1	120.6397	0.062	9	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6440	0.000	1	120.5859	0.042	15	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5550	0.228	2	120.5859	0.042	15	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4700	0.000	1	120.5859	0.042	15	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5870	0.101	4	120.5859	0.042	15	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,4|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4990	0.198	2	120.5859	0.042	15	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8670	0.000	1	120.5859	0.042	15	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8850	0.000	1	120.5859	0.042	15	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.0950	0.000	1	120.5859	0.042	15	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6860	0.034	2	120.5859	0.042	15	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){4|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5050	0.000	1	120.5050	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[6,6a]C[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9050	0.000	1	120.9050	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6]C[6,6a]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3140	0.000	1	120.3140	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[6,6]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]C[6,6]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|N<2>,1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9680	0.000	1	120.9680	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6]C[6,6a]C[6]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7450	0.075	2	120.7450	0.006	2	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]C[6]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]C[6]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,2|O<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3200	0.000	1	121.3200	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]N[5,5a]C[6])(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]N[5,5a]C[6])(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	121.1650	0.000	1	121.1650	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]N[5,6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6]C[6,6a]N[5,6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0310	0.000	1	121.0310	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]N[5,6]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]N[5,6]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9000	0.000	1	120.9000	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7340	0.066	2	120.7340	0.004	2	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6160	0.037	3	120.6160	0.001	3	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6]C[6,6a]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9223	0.193	8	120.9223	0.037	8	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]O[5,6]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6]C[6,6a]O[5,6]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	122.9440	0.000	1	122.9440	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6,6a]O[5,6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]C[6,6a]O[5,6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9680	0.071	2	120.9680	0.005	2	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6]N[5]S[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<2>,1|S<4>}	C[5,6a](C[5,6]C[6]N[5]S[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5360	0.000	1	120.5360	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6]O[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[5,6a](C[5,6]C[6]O[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8240	0.190	2	120.8670	0.104	8	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6]O[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,3|O<2>}	C[5,6a](C[5,6]C[6]O[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2990	0.000	1	120.8670	0.104	8	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6]O[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6]C[6]O[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7410	0.000	1	120.8670	0.104	8	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6]O[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6]C[6]O[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9467	0.136	3	120.8670	0.104	8	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]C[6]O[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6]C[6]O[5]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|Cl<1>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4080	0.000	1	120.8670	0.104	8	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5,5a,6]C[6]H)(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]N[5,5a,6]C[6]H)(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H){4|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6400	0.000	1	120.6400	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6]N[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0690	0.000	1	121.0690	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5,6]C[6]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5,6a](C[5,6]N[5,6]C[6]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6360	0.000	1	120.6360	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]N[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	121.2875	0.151	2	120.9573	0.074	8	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]N[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7493	0.011	3	120.9573	0.074	8	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6]N[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8905	0.354	2	120.9573	0.074	8	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]N[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0540	0.000	1	120.9573	0.074	8	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6]N[5,6]C[6]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.9340	0.000	1	121.9340	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6]N[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0240	0.000	1	120.9633	0.035	3	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6]N[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1120	0.000	1	120.9633	0.035	3	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6]N[5,6]C[6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7540	0.000	1	120.9633	0.035	3	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6]N[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.5310	0.000	1	120.9487	0.133	3	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6]N[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	121.2050	0.000	1	120.9487	0.133	3	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){2|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6]N[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1100	0.000	1	120.9487	0.133	3	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5a,6]C[5,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6]N[5a,6]C[5,6]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6910	0.027	2	120.6910	0.001	2	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6]N[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6700	0.000	1	120.6937	0.046	3	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6]N[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7055	0.302	2	120.6937	0.046	3	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5a,6]C[5]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,3|N<3>}	C[5,6a](C[5,6]N[5a,6]C[5]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6970	0.000	1	120.6970	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5a,6]C[5]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|N<3>}	C[5,6a](C[5,6]N[5a,6]C[5]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8630	0.000	1	120.8630	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5a,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6]N[5a,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6755	0.243	2	120.6755	0.059	2	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]N[5a,6]N[5,6]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,2|C<3>,2|N<3>}	C[5,6a](C[5,6]N[5a,6]N[5,6]C)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9100	0.000	1	120.9100	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]O[5,6]C[5a]O[6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](C[5,6]O[5,6]C[5a]O[6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.6320	0.000	1	119.6320	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]O[5,6]C[6a]C[6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]O[5,6]C[6a]C[6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){3|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6465	0.046	2	120.6465	0.002	2	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H)	C[5,6a](C[5,6]Si[5,6]C[6]B)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(H){1|Si<4>,1|B<3>,1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6]Si[5,6]C[6]B)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	119.1220	0.000	1	119.1220	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]I)(H)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]I)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|I<1>,1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.2130	0.000	1	119.2130	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6]C[5,6]C[6]Cr)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]N)(H){1|Cr<9>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]Cr)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	121.0550	0.000	1	121.0550	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]N)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8710	0.000	1	120.9143	0.002	3	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]N)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|N<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9360	0.038	2	120.9143	0.002	3	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6]C[5,6]C[6]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[5,6a](C[5,6]C[5,6]C[6]N)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,1|S<4>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.4110	0.000	1	121.4110	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]N)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3490	0.476	8	120.3490	0.227	8	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]N)(H)	C[5,6a](C[5,6]C[5]N[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]N)(H){1|H<1>,1|O<2>,2|C<3>,2|N<3>}	C[5,6a](C[5,6]C[5]N[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5280	0.000	1	121.5280	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]N[6])(H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]N[6])(H){1|H<1>,7|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5052	0.421	6	120.5052	0.177	6	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6]C[3,5,6]N[6]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6]C[3,5,6]N[6]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6070	0.000	1	120.6070	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6]C[5,6,6]N[6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6]C[5,6,6]N[6]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.8990	0.000	1	120.8990	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6065	0.153	2	120.6065	0.024	2	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<3>,5|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6660	0.000	1	120.5790	0.015	2	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H){3|C<3>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.4920	0.000	1	120.5790	0.015	2	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,3|O<2>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1840	0.000	1	120.9108	0.180	4	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|O<2>}	H(C[6a]C[5,6a]C[6a])	121.3610	0.000	1	120.9108	0.180	4	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5490	0.006	2	120.9108	0.180	4	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6460	0.000	1	120.6460	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6]C[5,6]O[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<3>,2|O<2>,3|C<4>}	C[5,6a](C[5,6]C[5,6]O[6]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	121.0007	0.257	3	121.0007	0.066	3	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]C[5,6]O[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7780	0.000	1	120.7780	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H){1|O<2>,5|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3550	0.000	1	120.3550	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.9800	0.000	1	120.8910	0.093	3	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6]C[5]C[6]O[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8465	0.416	2	120.8910	0.093	3	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H){2|O<2>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.4410	0.000	1	121.4410	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<2>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7030	0.226	2	120.5980	0.059	3	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H){1|O<2>,2|C<4>,3|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,4|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.3880	0.000	1	120.5980	0.059	3	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H)	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8250	0.000	1	120.8250	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]S)(H)	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]C[6a]S)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]C[5,6]C[6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.1420	0.000	1	121.1420	0.000	1	120.8047	0.333	725	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5]C[5,6a]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|H<1>,5|C<3>}	C[5,6a](C[5]C[5,6a]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	119.8420	0.051	2	119.8420	0.003	2	120.3868	1.303	33	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	C[5,6a](C[5]C[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5]C[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	119.6055	0.216	2	119.6055	0.047	2	120.3868	1.303	33	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H)	C[5,6a](C[5]C[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5]C[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,1|S<2>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3720	0.000	1	121.3720	0.000	1	120.3868	1.303	33	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5]B[5,6a]N[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|N<4>,1|O<2>,2|H<1>}	C[5,6a](C[5]B[5,6a]N[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.9160	0.000	1	119.9160	0.000	1	120.3868	1.303	33	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5]C[3x3,4,3x5,14x6]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|C<5>,2|C<4>,2|H<1>}	C[5,6a](C[5]C[3x3,4,3x5,14x6]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,4|B<6>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5840	0.000	1	120.5840	0.000	1	120.3868	1.303	33	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5]C[5,5]C[5a]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5]C[5,5]C[5a]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7250	0.000	1	120.7250	0.000	1	120.3868	1.303	33	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7320	0.000	1	120.7320	0.000	1	120.3868	1.303	33	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4210	0.000	1	120.6173	0.072	3	120.3868	1.303	33	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9220	0.000	1	120.6173	0.072	3	120.3868	1.303	33	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5090	0.000	1	120.6173	0.072	3	120.3868	1.303	33	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5]C[5,6]C[6a]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5]C[5,6]C[6a]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5270	0.000	1	120.5270	0.000	1	120.3868	1.303	33	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5]C[5,6a]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5]C[5,6a]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7392	0.275	6	120.7392	0.076	6	120.3868	1.303	33	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5]C[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5]C[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<2>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4010	0.000	1	120.4107	0.001	3	120.3868	1.303	33	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5]C[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5]C[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4155	0.047	2	120.4107	0.001	3	120.3868	1.303	33	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5]C[5a]C[6a]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5,6a](C[5]C[5a]C[6a]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8340	0.000	1	120.8340	0.000	1	120.3868	1.303	33	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5]C[5a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5]C[5a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5870	0.000	1	120.7420	0.024	3	120.3868	1.303	33	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5]C[5a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5]C[5a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8195	0.108	2	120.7420	0.024	3	120.3868	1.303	33	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5]C[5x3,5x5,20x6]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|C<6>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5]C[5x3,5x5,20x6]C[5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|C<6>,2|H<1>,4|B<6>}	H(C[6a]C[5,6a]C[6a])	120.8710	0.000	1	120.8710	0.000	1	120.3868	1.303	33	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5]C[6a]C[5]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5]C[6a]C[5]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	121.3030	0.000	1	121.3030	0.000	1	120.3868	1.303	33	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5]C[6a]C[6]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5]C[6a]C[6]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9110	0.000	1	120.9110	0.000	1	120.3868	1.303	33	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5]C[6a]N[5a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5]C[6a]N[5a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4430	0.000	1	120.4430	0.000	1	120.3868	1.303	33	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5]C[6a]N[5a]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5]C[6a]N[5a]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.9560	0.000	1	120.9560	0.000	1	120.3868	1.303	33	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5]N[5,5a]C[6a]C[3])(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5]N[5,5a]C[6a]C[3])(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<4>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4470	0.000	1	120.4470	0.000	1	120.3868	1.303	33	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	C[5,6a](C[5]N[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5]N[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<2>,1|O<1>,3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	114.5040	0.000	1	114.5040	0.000	1	120.3868	1.303	33	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	Ga[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Ga[5,5])(C[6a]C[6a]H)(H)	C[5,6a](Ga[5,5]C[5,6a]2N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Ga[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<4>,4|C<3>}	C[5,6a](Ga[5,5]C[5,6a]2N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.5665	2.123	4	119.5665	4.508	4	119.5665	4.508	4	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	Ge[4,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Ge[4,5])(C[6a]C[6a]H)(H)	C[5,6a](Ge[4,5]Ge[4,5]C[6a]P[4])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Ge[4,5])(C[6a]C[6a]H)(H){1|Ge<3>,1|H<1>,1|P<2>,1|P<4>,2|C<3>}	C[5,6a](Ge[4,5]Ge[4,5]C[6a]P[4])(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	118.8530	0.286	2	118.8530	0.082	2	118.8530	0.082	2	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	Ge[5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Ge[5])(C[6a]C[6a]H)(H)	C[5,6a](Ge[5]C[5,6a]Ge[5]Pt)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Ge[5])(C[6a]C[6a]H)(H){1|Ge<4>,1|Pt<4>,1|H<1>,3|C<3>}	C[5,6a](Ge[5]C[5,6a]Ge[5]Pt)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|Ge<4>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.0787	0.396	3	120.0787	0.157	3	120.0670	0.093	5	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	Ge[5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Ge[5])(C[6a]C[6a]H)(H)	C[5,6a](Ge[5]C[6a]Ge[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Ge[5])(C[6a]C[6a]H)(H){1|Ge<4>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](Ge[5]C[6a]Ge[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.0495	0.240	2	120.0495	0.057	2	120.0670	0.093	5	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	In[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]In[5,5])(C[6a]C[6a]H)(H)	C[5,6a](In[5,5]C[5,6a]2N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]In[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<4>,4|C<3>}	C[5,6a](In[5,5]C[5,6a]2N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.1850	0.048	2	119.1850	0.002	2	119.1850	0.002	2	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[3x5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[3x5])(C[6a]C[6a]H)(H)	C[5,6a](N[3x5]C[5,6a]2In[3x5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[3x5])(C[6a]C[6a]H)(H){1|In<5>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](N[3x5]C[5,6a]2In[3x5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Ni<4>,1|C<4>,2|H<1>,2|N<3>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.7730	0.000	1	119.7730	0.000	1	119.7730	0.000	1	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H)	C[5,6a](N[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,5])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](N[5,5]C[5,5]C[5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,7|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5800	0.000	1	121.5800	0.000	1	121.5800	0.000	1	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	N[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	C[5,6a](N[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](N[5,6]C[5,6]C[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,7|H<1>}	H(C[6a]C[5,6a]C[6a])	121.5190	0.000	1	121.5190	0.000	1	121.5190	0.000	1	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	P[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5,5])(C[6a]C[6a]H)(H)	C[5,6a](P[5,5]C[3,5,5]C[5]Se)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5,5])(C[6a]C[6a]H)(H){1|Se<1>,1|H<1>,2|C<3>,2|C<4>}	C[5,6a](P[5,5]C[3,5,5]C[5]Se)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6820	0.000	1	120.6820	0.000	1	119.7856	0.255	19	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	P[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5,5])(C[6a]C[6a]H)(H)	C[5,6a](P[5,5]C[5,5]O[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[5,6a](P[5,5]C[5,5]O[5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|P<4>,2|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6805	0.251	2	120.6805	0.063	2	119.7856	0.255	19	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	P[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5,5])(C[6a]C[6a]H)(H)	C[5,6a](P[5,5]C[5,6a]Ga[5,5]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5,5])(C[6a]C[6a]H)(H){1|Ga<4>,1|H<1>,1|S<2>,3|C<3>}	C[5,6a](P[5,5]C[5,6a]Ga[5,5]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.5870	0.180	6	119.5839	0.023	8	119.7856	0.255	19	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	P[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5,5])(C[6a]C[6a]H)(H)	C[5,6a](P[5,5]C[5,6a]Ga[5,5]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5,5])(C[6a]C[6a]H)(H){1|Ga<4>,1|H<1>,1|S<2>,3|C<3>}	C[5,6a](P[5,5]C[5,6a]Ga[5,5]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|H<1>,2|S<2>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.5745	0.042	2	119.5839	0.023	8	119.7856	0.255	19	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	P[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5,5])(C[6a]C[6a]H)(H)	C[5,6a](P[5,5]C[5,6a]Ge[4x5]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5,5])(C[6a]C[6a]H)(H){1|Ge<6>,1|H<1>,1|S<2>,3|C<3>}	C[5,6a](P[5,5]C[5,6a]Ge[4x5]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|P<4>,2|H<1>,3|S<2>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.9940	0.150	4	119.9940	0.022	4	119.7856	0.255	19	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	P[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5,5])(C[6a]C[6a]H)(H)	C[5,6a](P[5,5]C[5,6a]In[4x5]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5,5])(C[6a]C[6a]H)(H){1|In<6>,1|H<1>,1|S<2>,3|C<3>}	C[5,6a](P[5,5]C[5,6a]In[4x5]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|P<4>,2|H<1>,3|S<2>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.3090	0.398	4	119.3090	0.158	4	119.7856	0.255	19	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	P[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]P[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](P[5,6,6]Nb[3,5,6,6]C[6,6a]2)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]P[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|Nb<6>,1|C<4>,1|H<1>,3|C<3>}	C[5,6a](P[5,6,6]Nb[3,5,6,6]C[6,6a]2)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,3|N<3>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.2300	0.000	1	120.2300	0.000	1	120.4485	0.095	2	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	P[5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]P[5,6,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](P[5,6,6]Nb[3x3,5,6,6]C[6,6a]2)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]P[5,6,6]C[5,6a])(C[6a]C[6a]H)(H){1|Nb<8>,1|C<4>,1|H<1>,3|C<3>}	C[5,6a](P[5,6,6]Nb[3x3,5,6,6]C[6,6a]2)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|S<5>,2|O<2>,3|H<1>,3|N<3>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.6670	0.000	1	120.6670	0.000	1	120.4485	0.095	2	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	P[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5,6])(C[6a]C[6a]H)(H)	C[5,6a](P[5,6]C[5,6]C[6]S)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<1>,1|S<2>,2|C<4>}	C[5,6a](P[5,6]C[5,6]C[6]S)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2850	0.000	1	120.2850	0.000	1	120.4485	0.028	4	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	P[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5,6])(C[6a]C[6a]H)(H)	C[5,6a](P[5,6]C[6,6a]C[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](P[5,6]C[6,6a]C[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.3240	0.000	1	120.3240	0.000	1	120.4485	0.028	4	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	P[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5,6])(C[6a]C[6a]H)(H)	C[5,6a](P[5,6]C[6,6a]C[5,6]S)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5,6])(C[6a]C[6a]H)(H){1|H<1>,1|S<1>,4|C<3>}	C[5,6a](P[5,6]C[6,6a]C[5,6]S)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5900	0.000	1	120.5900	0.000	1	120.4485	0.028	4	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	P[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5,6])(C[6a]C[6a]H)(H)	C[5,6a](P[5,6]C[6,6a]C[5,6]Se)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5,6])(C[6a]C[6a]H)(H){1|Se<1>,1|H<1>,4|C<3>}	C[5,6a](P[5,6]C[6,6a]C[5,6]Se)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.5950	0.000	1	120.5950	0.000	1	120.4485	0.028	4	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	P[5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](P[5]In[3x4,5,5]C[6a]2)(C[5,6a]O[4,4,5]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|In<6>,1|H<1>,1|O<3>,3|C<3>}	C[5,6a](P[5]In[3x4,5,5]C[6a]2)(C[5,6a]O[4,4,5]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|In<6>,1|P<4>,2|H<1>,2|O<3>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.0075	0.158	2	120.0075	0.025	2	120.0075	0.025	2	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	S[4,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[4,5])(C[6a]C[6a]H)(H)	C[5,6a](S[4,5]C[4]N[4]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[4,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](S[4,5]C[4]N[4]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6815	0.098	2	120.6815	0.010	2	120.6815	0.010	2	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	Se[4,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Se[4,5])(C[6a]C[6a]H)(H)	C[5,6a](Se[4,5]C[4]N[4]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Se[4,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[5,6a](Se[4,5]C[4]N[4]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2130	0.000	1	120.2130	0.000	1	120.2130	0.000	1	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	Se[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Se[5,5])(C[6a]C[6a]H)(H)	C[5,6a](Se[5,5]C[5,6]N[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Se[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|N<4>,3|C<3>}	C[5,6a](Se[5,5]C[5,6]N[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,3|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	121.0530	0.000	1	121.0530	0.000	1	121.2812	0.246	5	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	Se[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Se[5,5])(C[6a]C[6a]H)(H)	C[5,6a](Se[5,5]C[5,6a]N[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Se[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|N<3>,3|C<3>}	C[5,6a](Se[5,5]C[5,6a]N[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	121.3383	0.553	4	121.3383	0.306	4	121.2812	0.246	5	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	Si[5,5]-4:C[5,6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]Si[5,5])(C[6a]C[6a]H)(H)	C[5,6a](Si[5,5]C[5,6a]Si[5,5]C[6a])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]Si[5,5])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,4|C<3>}	C[5,6a](Si[5,5]C[5,6a]Si[5,5]C[6a])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,9|C<3>}	H(C[6a]C[5,6a]C[6a])	118.9570	0.058	2	118.9570	0.003	2	118.9570	0.003	2	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	Si[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5,5])(C[6a]C[6a]H)(H)	C[5,6a](Si[5,5]C[3x3,4x5,12x6]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|C<5>,1|H<1>,1|N<3>,1|O<2>}	C[5,6a](Si[5,5]C[3x3,4x5,12x6]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|B<5>,1|C<4>,1|C<5>,2|B<6>,3|C<3>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.7730	0.000	1	119.7730	0.000	1	119.6140	0.051	2	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	Si[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5,5])(C[6a]C[6a]H)(H)	C[5,6a](Si[5,5]C[5]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,6a](Si[5,5]C[5]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|Si<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	119.4550	0.000	1	119.4550	0.000	1	119.6140	0.051	2	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	Si[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5,6])(C[6a]C[6a]H)(H)	C[5,6a](Si[5,6]C[5,6a]C[6]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5,6a](Si[5,6]C[5,6a]C[6]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	119.6050	0.075	2	119.6050	0.006	2	119.5920	0.003	3	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	Si[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5,6])(C[6a]C[6a]H)(H)	C[5,6a](Si[5,6]N[5]N[6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,4|N<3>}	C[5,6a](Si[5,6]N[5]N[6]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	119.5660	0.000	1	119.5660	0.000	1	119.5920	0.003	3	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	Si[5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](Si[5]C[5,6a]Si[5]Pd)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](Si[5]C[5,6a]Si[5]Pd)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|Si<4>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.7130	0.160	2	119.7130	0.026	2	119.7539	0.090	14	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	Si[5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](Si[5]C[5,6a]Si[5]Pt)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|Pt<4>,1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](Si[5]C[5,6a]Si[5]Pt)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|Si<4>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.7773	0.340	4	119.7773	0.116	4	119.7539	0.090	14	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	Si[5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](Si[5]C[5,6a]Si[5]Si)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){2|Si<4>,1|H<1>,3|C<3>}	C[5,6a](Si[5]C[5,6a]Si[5]Si)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|Si<4>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.9207	0.229	4	119.9207	0.052	4	119.7539	0.090	14	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	Si[5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H)	C[5,6a](Si[5]C[6a]Si[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](Si[5]C[6a]Si[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.5840	0.370	4	119.5840	0.137	4	119.7539	0.090	14	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5,6a]-3:N[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5,5])(N[6a]C[6a]H)(H)	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]N[6a]O[5])(C[6a]N[6a]H)	H(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]C[5,5])(N[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|O<2>}	C[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]N[6a]O[5])(C[6a]N[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5,6a]N[6a])	125.1715	1.176	2	125.1715	1.383	2	125.1715	1.383	2	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5,5])(H)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5,5])(H){1|N<2>,1|N<3>,2|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){1|N<2>,3|C<3>,3|C<4>,5|H<1>}	H(C[6a]C[5a,6a]C[5,6a])	123.7640	0.000	1	123.7640	0.000	1	123.7640	0.000	1	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[4,5])(H)	C[5,6a](C[4,5]C[4,5]C[4]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[4,5])(H){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[5,6a](C[4,5]C[4,5]C[4]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H){1|C<4>,1|S<4>,2|C<3>,2|F<1>,2|H<1>}	H(C[6a]C[6a,6a]C[5,6a])	120.0800	0.000	1	120.0800	0.000	1	120.4620	0.292	2	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[4,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[4,5])(H)	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]N[6a]N[5])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[4,5])(H){1|C<4>,1|H<1>,1|N<2>,2|N<3>,3|C<3>}	C[5,6a](C[4,5]C[4]C[5]N[4])(C[5,6a]N[6a]N[5])(C[6a]C[6a,6a]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	120.8440	0.000	1	120.8440	0.000	1	120.4620	0.292	2	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])(H){1|H<1>,3|C<4>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a,6a]H){1|H<1>,3|C<4>,5|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	119.4680	0.072	2	119.4680	0.005	2	120.9660	2.114	5	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])(H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]N[6a]N[5])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,5])(H){1|H<1>,1|N<2>,2|N<3>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]N[6a]N[5])(C[6a]C[6a,6a]H){1|N<2>,1|O<1>,2|C<4>,4|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	121.1610	0.000	1	121.1610	0.000	1	120.9660	2.114	5	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]C[5,5])(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]C[5,5])(H){1|N<2>,3|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a,6a]H){1|H<1>,1|N<2>,3|C<4>,4|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	122.3665	0.043	2	122.3665	0.002	2	120.9660	2.114	5	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,6])(H)	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,6])(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]N[6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){2|C<3>,3|H<1>,4|C<4>}	H(C[6a]C[6a,6a]C[5,6a])	120.1280	0.000	1	120.1280	0.000	1	120.1540	0.001	2	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	4:3:3:	3:	C[6a,6a]-3:C[5,6a]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,6])(H)	C[5,6a](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]C[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[5,6])(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	H(C[6a]C[6a,6a]C[5,6a])	120.1800	0.000	1	120.1800	0.000	1	120.1540	0.001	2	120.6160	0.418	2721	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	5:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	As[5,5]-5:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]As[5,5]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](As[5,5]C[5,6a]O[5]2C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]As[5,5]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[5,6a](As[5,5]C[5,6a]O[5]2C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.6458	0.195	12	120.6458	0.038	12	120.7415	0.040	21	120.3228	0.256	76	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	5:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	As[5,5]-5:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]As[5,5]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](As[5,5]C[5,6a]O[5]2I)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]As[5,5]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|I<1>,2|C<3>,2|O<2>}	C[5,6a](As[5,5]C[5,6a]O[5]2I)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.8560	0.000	1	120.8560	0.000	1	120.7415	0.040	21	120.3228	0.256	76	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	5:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	As[5,5]-5:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]As[5,5]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](As[5,5]C[5,6a]O[5]2O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]As[5,5]C[5,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,3|O<2>}	C[5,6a](As[5,5]C[5,6a]O[5]2O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.8708	0.138	8	120.8708	0.019	8	120.7415	0.040	21	120.3228	0.256	76	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	5:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	B[3,3,5]-5:C[5,6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]B[3,3,5])(C[6a]C[6a]H)(H)	C[5,6a](B[3,3,5]B[3,3,5]C[6a]H[3]2)(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]B[3,3,5])(C[6a]C[6a]H)(H){1|B<5>,1|H<1>,2|H<2>,3|C<3>}	C[5,6a](B[3,3,5]B[3,3,5]C[6a]H[3]2)(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	119.7530	0.095	2	119.7530	0.009	2	119.7530	0.009	2	120.3228	0.256	76	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	5:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	Ge[5,5]-5:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Ge[5,5])(C[6a]C[6a]H)(H)	C[5,6a](Ge[5,5]C[5,6a]Ge[5,5]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Ge[5,5])(C[6a]C[6a]H)(H){1|Ge<5>,2|C<3>,2|C<4>,2|O<2>}	C[5,6a](Ge[5,5]C[5,6a]Ge[5,5]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<4>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.4958	0.220	4	119.4958	0.048	4	119.5235	0.037	6	120.3228	0.256	76	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	5:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	Ge[5,5]-5:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Ge[5,5])(C[6a]C[6a]H)(H)	C[5,6a](Ge[5,5]C[5,6a]O[5]2Fe)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Ge[5,5])(C[6a]C[6a]H)(H){1|Fe<8>,2|C<3>,2|C<4>,2|O<2>}	C[5,6a](Ge[5,5]C[5,6a]O[5]2Fe)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	119.5790	0.182	2	119.5790	0.033	2	119.5235	0.037	6	120.3228	0.256	76	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	5:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	P[4,5]-5:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[4,5])(C[6a]C[6a]H)(H)	C[5,6a](P[4,5]C[6a]C[4]N[5]O[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](P[4,5]C[6a]C[4]N[5]O[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.5550	0.000	1	120.5983	0.001	3	120.6663	0.023	7	120.3228	0.256	76	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	5:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	P[4,5]-5:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[4,5])(C[6a]C[6a]H)(H)	C[5,6a](P[4,5]C[6a]C[4]N[5]O[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[4,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](P[4,5]C[6a]C[4]N[5]O[4])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6200	0.000	2	120.5983	0.001	3	120.6663	0.023	7	120.3228	0.256	76	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	5:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	P[4,5]-5:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[4,5])(C[6a]C[6a]H)(H)	C[5,6a](P[4,5]C[6a]C[4]O[4]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[4,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[5,6a](P[4,5]C[6a]C[4]O[4]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	H(C[6a]C[5,6a]C[6a])	120.7172	0.190	4	120.7172	0.036	4	120.6663	0.023	7	120.3228	0.256	76	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	5:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	P[5,5,6]-5:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]P[5,5,6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](P[5,5,6]C[6,6a]2C[5,5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]P[5,5,6]C[5,6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,5|C<3>}	C[5,6a](P[5,5,6]C[6,6a]2C[5,5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	119.9850	0.000	1	119.9850	0.000	1	119.9850	0.000	1	120.3228	0.256	76	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	5:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	P[5,5]-5:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5,5])(C[6a]C[6a]H)(H)	C[5,6a](P[5,5]C[5,5]C[6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,5|C<3>}	C[5,6a](P[5,5]C[5,5]C[6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	120.0020	0.000	1	119.6593	0.493	3	120.2188	0.189	34	120.3228	0.256	76	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	5:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	P[5,5]-5:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5,5])(C[6a]C[6a]H)(H)	C[5,6a](P[5,5]C[5,5]C[6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5,5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,5|C<3>}	C[5,6a](P[5,5]C[5,5]C[6a]2O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,8|C<3>}	H(C[6a]C[5,6a]C[6a])	119.4880	0.899	2	119.6593	0.493	3	120.2188	0.189	34	120.3228	0.256	76	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	5:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	P[5,5]-5:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5,5])(C[6a]C[6a]H)(H)	C[5,6a](P[5,5]C[5,6a]C[6a]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	C[5,6a](P[5,5]C[5,6a]C[6a]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|C<4>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	120.1208	0.261	18	120.2984	0.170	24	120.2188	0.189	34	120.3228	0.256	76	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	5:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	P[5,5]-5:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5,5])(C[6a]C[6a]H)(H)	C[5,6a](P[5,5]C[5,6a]C[6a]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|O<2>,4|C<3>}	C[5,6a](P[5,5]C[5,6a]C[6a]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	H(C[6a]C[5,6a]C[6a])	120.8312	0.309	6	120.2984	0.170	24	120.2188	0.189	34	120.3228	0.256	76	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	5:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	P[5,5]-5:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5,5])(C[6a]C[6a]H)(H)	C[5,6a](P[5,5]C[5,6a]O[5]2C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5,5])(C[6a]C[6a]H)(H){1|C<1>,1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](P[5,5]C[5,6a]O[5]2C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.3620	0.000	1	120.1856	0.042	7	120.2188	0.189	34	120.3228	0.256	76	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	5:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	P[5,5]-5:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5,5])(C[6a]C[6a]H)(H)	C[5,6a](P[5,5]C[5,6a]O[5]2C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[5,6a](P[5,5]C[5,6a]O[5]2C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	120.1562	0.207	6	120.1856	0.042	7	120.2188	0.189	34	120.3228	0.256	76	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	5:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	P[5]-5:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H)	C[5,6a](P[5]C[6a]C[5]HfS)(C[5,6a]C[6a]P[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5])(C[6a]C[6a]H)(H){1|Hf<12>,1|C<4>,1|H<1>,1|P<5>,1|S<2>,2|C<3>}	C[5,6a](P[5]C[6a]C[5]HfS)(C[5,6a]C[6a]P[5])(C[6a]C[6a]H){2|H<1>,2|S<2>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	120.4070	0.085	2	120.4070	0.007	2	120.4070	0.007	2	120.3228	0.256	76	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	5:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	S[4,5]-5:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]S[4,5])(C[6a]C[6a]H)(H)	C[5,6a](S[4,5]C[4]N[4]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]S[4,5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[5,6a](S[4,5]C[4]N[4]O[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8020	0.000	1	120.8020	0.000	1	120.8020	0.000	1	120.3228	0.256	76	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	5:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	Si[5,5]-5:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]Si[5,5])(C[6a]C[6a]H)(H)	C[5,6a](Si[5,5]C[5,6a]Si[5,5]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]Si[5,5])(C[6a]C[6a]H)(H){1|Si<5>,1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6a](Si[5,5]C[5,6a]Si[5,5]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<4>,5|C<3>}	H(C[6a]C[5,6a]C[6a])	119.3065	0.173	2	119.3065	0.030	2	119.3065	0.030	2	120.3228	0.256	76	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	6:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	B[5x3,5x5,17x6]-6:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]B[5x3,5x5,17x6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](B[5x3,5x5,17x6]B[4x3,4,5x5,21x6]C[3x3,4,4x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]B[5x3,5x5,17x6]C[5,6a])(C[6a]C[6a]H)(H){1|C<5>,1|H<1>,2|C<3>,4|B<6>}	C[5,6a](B[5x3,5x5,17x6]B[4x3,4,5x5,21x6]C[3x3,4,4x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<5>,1|O<1>,4|B<6>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	118.3520	0.000	1	118.3520	0.000	1	118.3520	0.000	1	120.0288	1.061	24	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	6:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	B[5x3,6x5,20x6]-6:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]B[5x3,6x5,20x6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](B[5x3,6x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,6x5,20x6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]B[5x3,6x5,20x6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|C<6>,3|B<6>}	C[5,6a](B[5x3,6x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,6x5,20x6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,5|B<6>,8|H<1>}	H(C[6a]C[5,6a]C[6a])	120.2200	0.000	1	120.2200	0.000	1	119.5069	0.818	7	120.0288	1.061	24	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	6:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	B[5x3,6x5,20x6]-6:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]B[5x3,6x5,20x6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](B[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]B[5x3,6x5,20x6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|C<6>,1|H<1>,4|B<6>}	C[5,6a](B[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<6>,4|B<6>,8|H<1>}	H(C[6a]C[5,6a]C[6a])	119.7970	0.000	1	119.3880	0.863	6	119.5069	0.818	7	120.0288	1.061	24	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	6:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	B[5x3,6x5,20x6]-6:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]B[5x3,6x5,20x6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](B[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]B[5x3,6x5,20x6]C[5,6a])(C[6a]C[6a]H)(H){1|C<6>,1|H<1>,2|C<3>,4|B<6>}	C[5,6a](B[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<6>,1|O<1>,4|B<6>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	119.3062	1.014	5	119.3880	0.863	6	119.5069	0.818	7	120.0288	1.061	24	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	6:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5x3,6x5,20x6]-6:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5x3,6x5,20x6]C[5,6a])(C[6a]C[6a]F)(H)	C[5,6a](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5x3,6x5,20x6]C[5,6a])(C[6a]C[6a]F)(H){1|C<3>,1|C<6>,1|H<1>,1|O<2>,4|B<6>}	C[5,6a](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|F<1>,5|B<6>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	121.9120	0.000	1	121.9120	0.000	1	121.0715	0.323	4	120.0288	1.061	24	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	6:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5x3,6x5,20x6]-6:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5x3,6x5,20x6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5x3,6x5,20x6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<6>,1|H<1>,1|O<2>,4|B<6>}	C[5,6a](C[5x3,6x5,20x6]B[5x3,5x5,20x6]3B[5x3,6x5,20x6]C[5x3,5x5,20x6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,5|B<6>,5|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8630	0.000	1	120.8630	0.000	1	121.0715	0.323	4	120.0288	1.061	24	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	6:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5x3,6x5,20x6]-6:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5x3,6x5,20x6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5x3,6x5,20x6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|C<6>,1|H<1>,4|B<6>}	C[5,6a](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,5|B<6>,8|H<1>}	H(C[6a]C[5,6a]C[6a])	120.6570	0.000	1	120.6570	0.000	1	121.0715	0.323	4	120.0288	1.061	24	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	6:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	C[5x3,6x5,20x6]-6:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5x3,6x5,20x6]C[5,6a])(C[6a]C[6a]H)(H)	C[5,6a](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5x3,6x5,20x6]C[5,6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<6>,1|H<1>,1|N<3>,4|B<6>}	C[5,6a](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,5|B<6>,6|H<1>}	H(C[6a]C[5,6a]C[6a])	120.8540	0.000	1	120.8540	0.000	1	121.0715	0.323	4	120.0288	1.061	24	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	6:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	P[3x5]-6:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[3x5])(C[6a]C[6a]H)(H)	C[5,6a](P[3x5]C[5,6a]2O[5]3)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[3x5])(C[6a]C[6a]H)(H){1|H<1>,3|O<2>,4|C<3>}	C[5,6a](P[3x5]C[5,6a]2O[5]3)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,7|C<3>}	H(C[6a]C[5,6a]C[6a])	120.7430	0.515	6	120.7430	0.265	6	120.7430	0.265	6	120.0288	1.061	24	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	6:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	P[5,5]-6:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]P[5,5])(C[6a]C[6a]H)(H)	C[5,6a](P[5,5]C[5,6a]O[5]2HH)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a]P[5,5])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[5,6a](P[5,5]C[5,6a]O[5]2HH)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	H(C[6a]C[5,6a]C[6a])	119.8458	0.074	5	119.8458	0.005	5	119.8458	0.005	5	120.0288	1.061	24	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	H	3:3:1:	6:3:3:	3:	C[5,6a]-3:C[6a]-3:H-1:	Si[3,3,4,5]-6:C[5,6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]Si[3,3,4,5]C[5,6a,6a])(C[6a]C[5,6a]H)(H)	C[5,6a](Si[3,3,4,5]Si[3,3,4,5]N[4]2O[3]2)(C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H)	H(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]Si[3,3,4,5]C[5,6a,6a])(C[6a]C[5,6a]H)(H){1|Si<6>,1|C<4>,2|C<3>,2|N<3>,2|O<2>}	C[5,6a](Si[3,3,4,5]Si[3,3,4,5]N[4]2O[3]2)(C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	H(C[6a]C[5,6a]C[6a])	117.8180	0.000	1	117.8180	0.000	1	117.8180	0.000	1	120.0288	1.061	24	120.9466	0.723	33975	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:2:1:	3:2:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]N[6a]H)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a])(H){4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]N[6a])	118.8240	0.000	1	118.8240	0.000	1	118.8240	0.000	1	118.8240	0.000	1	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:2:1:	3:3:2:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[5a,6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[5a,6a])(H){2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]N[6a])	118.8180	0.000	1	118.8180	0.000	1	119.5741	0.143	8	119.3147	0.321	15	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:2:1:	3:3:2:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]H)(N[5a]N[5a])	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(H){1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]H)(N[5a]N[5a]){3|C<3>}	H(C[6a]C[5a,6a]N[6a])	119.2570	0.000	1	119.2570	0.000	1	119.5741	0.143	8	119.3147	0.321	15	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:2:1:	3:3:2:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[5a,6a]N[6a])	119.7530	0.164	6	119.7530	0.027	6	119.5741	0.143	8	119.3147	0.321	15	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:2:1:	3:3:2:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a])(H){4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(O[5a]C[5a]){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]N[6a])	119.8615	0.142	2	119.8615	0.020	2	119.8615	0.020	2	119.3147	0.321	15	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:2:1:	3:3:2:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a])(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(S[5a]C[5a]){1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]N[6a])	118.9990	0.000	1	118.9990	0.000	1	118.9990	0.000	1	119.3147	0.321	15	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:2:1:	3:3:2:	3:	C[5a,6a]-3:N[6a]-2:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(H){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]N[6a])	118.4730	0.000	1	118.4897	0.029	3	118.6013	0.069	4	119.3147	0.321	15	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:2:1:	3:3:2:	3:	C[5a,6a]-3:N[6a]-2:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(H){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[5a,6a]N[6a])	118.4980	0.240	2	118.4897	0.029	3	118.6013	0.069	4	119.3147	0.321	15	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:2:1:	3:3:2:	3:	C[5a,6a]-3:N[6a]-2:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]N[5a])	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a])(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]N[5a]){1|Cl<1>,1|C<3>,1|H<1>}	H(C[6a]C[5a,6a]N[6a])	118.9360	0.000	1	118.9360	0.000	1	118.6013	0.069	4	119.3147	0.321	15	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:2:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a,6a]C[5a,6a])(N[6a]C[6a])(H)	C[5a,6a](C[5a,5a,6a]C[5a,6a]N[5a,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]H)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,5a,6a]C[5a,6a])(N[6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,5a,6a]C[5a,6a]N[5a,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,5|C<3>}	H(C[6a]C[5a,6a]N[6a])	118.8460	0.027	3	118.8460	0.001	3	118.8460	0.001	3	119.3284	1.814	54	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:2:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(N[6a]C[6a])(H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]H)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(N[6a]C[6a])(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,2|C<4>,3|C<3>}	H(C[6a]C[5a,6a]N[6a])	118.5590	0.000	1	118.5590	0.000	1	118.5590	0.000	1	119.3284	1.814	54	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:2:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(N[6a]C[6a])(H)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]N[6a]H)(N[5a]C[5a]S)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(N[6a]C[6a])(H){1|Cl<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]N[6a]H)(N[5a]C[5a]S){2|C<3>,2|C<4>}	H(C[6a]C[5a,6a]N[6a])	120.1050	0.000	1	120.1050	0.000	1	120.1050	0.000	1	119.3284	1.814	54	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:2:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]H)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]N[6a])	118.0120	0.187	2	118.0120	0.035	2	118.6230	0.373	12	119.3284	1.814	54	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:2:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a]N[6a]H)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(H){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a]N[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]N[6a])	118.5187	0.162	4	118.5187	0.026	4	118.6230	0.373	12	119.3284	1.814	54	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:2:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,5a,6a]C[6a])(C[5a,6a]N[5a,5a]C[6a])(C[6a]N[6a]H)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a,6a]C[6a])(C[5a,6a]N[5a,5a]C[6a])(C[6a]N[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]N[6a])	118.5965	0.835	2	118.5965	0.697	2	118.6230	0.373	12	119.3284	1.814	54	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:2:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]H)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(H){1|Br<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]H){1|S<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]N[6a])	118.4200	0.000	1	119.2930	1.524	2	118.6230	0.373	12	119.3284	1.814	54	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:2:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]H)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]H){3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]N[6a])	120.1660	0.000	1	119.2930	1.524	2	118.6230	0.373	12	119.3284	1.814	54	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:2:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]H)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]N[6a])	118.7990	0.129	2	118.7990	0.017	2	118.6230	0.373	12	119.3284	1.814	54	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:2:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]H)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]H){1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]N[6a])	118.2730	0.000	1	118.2730	0.000	1	118.9854	0.256	10	119.3284	1.814	54	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:2:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(H)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]O)(C[6a]N[6a]H)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(H){2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]O)(C[6a]N[6a]H){3|C<3>}	H(C[6a]C[5a,6a]N[6a])	118.8760	0.000	1	118.8760	0.000	1	118.9854	0.256	10	119.3284	1.814	54	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:2:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]H)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]N[6a])	118.7110	0.054	2	118.8690	0.076	3	118.9854	0.256	10	119.3284	1.814	54	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:2:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]H)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]N[6a])	119.1850	0.000	1	118.8690	0.076	3	118.9854	0.256	10	119.3284	1.814	54	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:2:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]N[6a]H)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]N[6a]H){1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]N[6a])	119.0430	0.000	1	119.0430	0.000	1	118.9854	0.256	10	119.3284	1.814	54	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:2:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]N[6a]H)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]N[6a]H){1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]N[6a])	118.6910	0.000	1	118.6910	0.000	1	118.9854	0.256	10	119.3284	1.814	54	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:2:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]N[6a]H)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){1|C<3>,2|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]N[6a]H){4|C<3>}	H(C[6a]C[5a,6a]N[6a])	118.7790	0.000	1	118.7790	0.000	1	118.9854	0.256	10	119.3284	1.814	54	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:2:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]H)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){1|N<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]H){1|C<3>,1|C<4>}	H(C[6a]C[5a,6a]N[6a])	119.7925	0.397	2	119.7925	0.157	2	118.9854	0.256	10	119.3284	1.814	54	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:2:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]H)(N[5a]C[5a]H){1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]N[6a])	119.6820	0.000	1	120.4720	1.248	2	120.1054	0.290	8	119.3284	1.814	54	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:2:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]H)(N[5a]C[5a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]N[6a])	121.2620	0.000	1	120.4720	1.248	2	120.1054	0.290	8	119.3284	1.814	54	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:2:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]H)(N[5a]C[5a]S)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(H){1|S<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]H)(N[5a]C[5a]S){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]N[6a])	119.9330	0.000	1	119.9330	0.000	1	120.1054	0.290	8	119.3284	1.814	54	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:2:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){1|Cl<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]N[6a])	119.9190	0.000	1	119.9190	0.000	1	120.1054	0.290	8	119.3284	1.814	54	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:2:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>}	H(C[6a]C[5a,6a]N[6a])	119.8850	0.048	2	119.8850	0.002	2	120.1054	0.290	8	119.3284	1.814	54	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:2:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){1|C<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	H(C[6a]C[5a,6a]N[6a])	120.5550	0.000	1	120.5550	0.000	1	120.1054	0.290	8	119.3284	1.814	54	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:2:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]N[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]N[6a])(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	H(C[6a]C[5a,6a]N[6a])	119.7220	0.000	1	119.7220	0.000	1	120.1054	0.290	8	119.3284	1.814	54	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:2:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]N[6a]H)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]N[6a]H){1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]N[6a])	119.6420	0.000	1	119.6360	0.000	2	120.7750	3.710	11	119.3284	1.814	54	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:2:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]N[6a]H)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]N[6a]H){4|C<3>}	H(C[6a]C[5a,6a]N[6a])	119.6300	0.000	1	119.6360	0.000	2	120.7750	3.710	11	119.3284	1.814	54	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:2:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]H)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]H){1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]N[6a])	119.1995	0.064	2	121.0281	4.241	9	120.7750	3.710	11	119.3284	1.814	54	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:2:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]H)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]H){1|C<4>,3|C<3>}	H(C[6a]C[5a,6a]N[6a])	123.3020	1.779	3	121.0281	4.241	9	120.7750	3.710	11	119.3284	1.814	54	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:2:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]H)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]H){1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]N[6a])	120.3505	1.190	2	121.0281	4.241	9	120.7750	3.710	11	119.3284	1.814	54	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:2:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]H)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]N[6a]H){1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]N[6a])	120.1235	1.193	2	121.0281	4.241	9	120.7750	3.710	11	119.3284	1.814	54	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:2:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]N[6a]H)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(H){1|C<2>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]N[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]N[6a])	117.5630	0.000	1	117.5630	0.000	1	117.7248	0.047	5	119.3284	1.814	54	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:2:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]H)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]N[6a]H){1|H<1>,1|S<2>,2|C<3>}	H(C[6a]C[5a,6a]N[6a])	117.5940	0.057	2	117.5940	0.003	2	117.7248	0.047	5	119.3284	1.814	54	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:2:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]I)(C[6a]N[6a]H)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(H){1|I<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]I)(C[6a]N[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]N[6a])	117.8020	0.000	1	117.8020	0.000	1	117.7248	0.047	5	119.3284	1.814	54	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:2:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-2:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]S)(C[6a]N[6a]H)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(H){1|S<2>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]S)(C[6a]N[6a]H){1|O<2>,1|S<2>,2|C<3>}	H(C[6a]C[5a,6a]N[6a])	118.0710	0.000	1	118.0710	0.000	1	117.7248	0.047	5	119.3284	1.814	54	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:2:1:	3:3:3:	3:	C[5a,6a]-3:O[6a]-2:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(O[6a]C[6a,6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]O[6a]H)	H(C[6a]C[5a,6a]O[6a])	C[6a](C[5a,6a]C[5a,6a]2)(O[6a]C[6a,6a])(H){5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]O[6a]H){1|C<4>,1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]O[6a])	119.0040	0.655	2	119.0040	0.429	2	119.0040	0.429	2	119.3284	1.814	54	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:2:1:	3:3:3:	3:	C[5a,6a]-3:O[6a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]O[6a]H)	H(C[6a]C[5a,6a]O[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(O[6a]C[6a])(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]O[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]O[6a])	119.2000	0.000	1	119.2000	0.000	1	119.2000	0.000	1	119.3284	1.814	54	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(O[5a]B[5,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(O[5a]B[5,5a])(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.8880	0.000	1	121.3038	0.173	4	121.1975	0.073	11	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(O[5a]B[5,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(O[5a]B[5,5a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1090	0.178	3	121.3038	0.173	4	121.1975	0.073	11	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(O[5a]B[5a,6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(O[5a]B[5a,6])(C[6a]C[6a]H){1|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1367	0.156	7	121.1367	0.024	7	121.1975	0.073	11	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(S[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[5a,6a]H)(H){1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(S[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.4508	0.126	5	119.4508	0.016	5	120.2768	0.295	22	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a,6a]H)(H){1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9020	0.000	1	120.5060	0.119	15	120.2768	0.295	22	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4777	0.339	14	120.5060	0.119	15	120.2768	0.295	22	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a,6a]N)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a,6a]N)(H){4|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|N<3>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6230	0.136	2	120.6230	0.018	2	120.2768	0.295	22	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6])(N[5a]C[5a,6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H){1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6])(N[5a]C[5a,6])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.2130	0.000	1	120.2130	0.000	1	120.9914	0.294	179	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H){1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.2650	0.372	4	120.2650	0.138	4	120.9914	0.294	179	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4810	0.000	1	120.4810	0.000	1	120.9914	0.294	179	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.1920	0.000	1	120.1920	0.000	1	120.9914	0.294	179	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.1440	0.000	1	120.3228	0.222	5	120.9914	0.294	179	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.8890	0.000	1	120.3228	0.222	5	120.9914	0.294	179	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.2320	0.141	2	120.3228	0.222	5	120.9914	0.294	179	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1170	0.000	1	120.3228	0.222	5	120.9914	0.294	179	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.1670	0.000	1	120.7452	0.168	4	120.9914	0.294	179	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9380	0.172	3	120.7452	0.168	4	120.9914	0.294	179	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9610	0.106	2	120.9610	0.011	2	120.9914	0.294	179	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|F<1>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.9080	0.000	1	121.9080	0.000	1	120.9914	0.294	179	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.9070	0.000	1	121.9070	0.000	1	120.9914	0.294	179	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[3,5a]C[6a])(N[5a]N[3,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[3,5a]C[6a])(N[5a]N[3,5a])(C[6a]C[6a]H){1|H<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	123.4660	0.000	1	123.4660	0.000	1	120.9914	0.294	179	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]N[5,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]N[5,5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9695	0.182	2	120.9695	0.033	2	120.9914	0.294	179	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2008	0.200	11	121.1798	0.042	12	120.9914	0.294	179	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9490	0.000	1	121.1798	0.042	12	120.9914	0.294	179	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6610	0.000	1	121.0193	0.116	11	120.9914	0.294	179	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7550	0.000	1	121.0193	0.116	11	120.9914	0.294	179	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7400	0.000	1	121.0193	0.116	11	120.9914	0.294	179	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8885	0.117	2	121.0193	0.116	11	120.9914	0.294	179	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9923	0.281	3	121.0193	0.116	11	120.9914	0.294	179	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.4340	0.281	3	121.0193	0.116	11	120.9914	0.294	179	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(C[6a]C[6a]H){1|H<1>,1|I<1>,1|N<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9410	0.000	1	121.0409	0.039	8	120.9914	0.294	179	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0551	0.210	7	121.0409	0.039	8	120.9914	0.294	179	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0960	0.000	1	120.9796	0.826	24	120.9914	0.294	179	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7870	0.134	2	120.9796	0.826	24	120.9914	0.294	179	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7967	0.926	6	120.9796	0.826	24	120.9914	0.294	179	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0824	1.255	10	120.9796	0.826	24	120.9914	0.294	179	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0100	0.000	1	120.9796	0.826	24	120.9914	0.294	179	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0090	0.000	1	120.9796	0.826	24	120.9914	0.294	179	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0723	0.209	3	120.9796	0.826	24	120.9914	0.294	179	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6940	0.000	1	121.1373	0.358	15	120.9914	0.294	179	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4037	1.461	3	121.1373	0.358	15	120.9914	0.294	179	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0681	0.137	10	121.1373	0.358	15	120.9914	0.294	179	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.4730	0.000	1	121.1373	0.358	15	120.9914	0.294	179	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]N[5a,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]N[5a,5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4800	0.000	1	121.4800	0.000	1	120.9914	0.294	179	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]N[6a])(N[5a]N[5a,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a,5a]N[6a])(N[5a]N[5a,5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.9090	0.000	1	121.9090	0.000	1	120.9914	0.294	179	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1510	0.000	1	120.9631	0.126	47	120.9914	0.294	179	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0090	0.163	6	120.9631	0.126	47	120.9914	0.294	179	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9313	0.396	4	120.9631	0.126	47	120.9914	0.294	179	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4033	0.860	3	120.9631	0.126	47	120.9914	0.294	179	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0109	0.257	19	120.9631	0.126	47	120.9914	0.294	179	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0350	0.000	1	120.9631	0.126	47	120.9914	0.294	179	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2040	0.233	4	120.9631	0.126	47	120.9914	0.294	179	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0330	0.274	7	120.9631	0.126	47	120.9914	0.294	179	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4190	0.071	2	120.9631	0.126	47	120.9914	0.294	179	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3940	0.042	2	120.9969	0.059	32	120.9914	0.294	179	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8735	0.250	4	120.9969	0.059	32	120.9914	0.294	179	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0250	0.242	2	120.9969	0.059	32	120.9914	0.294	179	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9988	0.233	20	120.9969	0.059	32	120.9914	0.294	179	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0205	0.243	2	120.9969	0.059	32	120.9914	0.294	179	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7770	0.117	2	120.9969	0.059	32	120.9914	0.294	179	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.6110	0.000	1	121.6110	0.000	1	120.9914	0.294	179	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0040	0.000	1	121.0040	0.000	1	120.9914	0.294	179	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.1130	0.000	1	120.1130	0.000	1	120.9914	0.294	179	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2490	0.000	1	121.2490	0.000	1	120.9914	0.294	179	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9800	0.000	1	120.9800	0.000	1	120.9914	0.294	179	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[5a,6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]2)(O[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[5a,6a]C)(H){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]2)(O[5a]C[5a,6a])(C[6a]C[6a]H){1|C<4>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.9580	0.000	1	119.9580	0.000	1	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]2)(O[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[5a,6a]H)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]2)(O[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9674	0.318	5	120.9674	0.101	5	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a,6])(O[5a]C[5a,6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[5a,6a]H)(H){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a,6])(O[5a]C[5a,6])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0580	0.000	1	121.0580	0.000	1	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6,6a]H)(H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.9350	0.000	1	121.0695	1.301	4	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6,6a]H)(H){4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.3700	1.375	2	121.0695	1.301	4	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6,6a]H)(H){4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.6030	0.000	1	121.0695	1.301	4	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.7110	0.278	19	121.7110	0.077	19	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(O[5a]C[5a,6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(O[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.7020	0.000	1	121.8145	0.025	2	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(O[5a]C[5a,6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(O[5a]C[5a,6])(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.9270	0.000	1	121.8145	0.025	2	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(O[5a]B[5a,6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H){1|B<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(O[5a]B[5a,6])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1290	0.000	1	121.1290	0.000	1	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]2)(H){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H){1|H<1>,1|S<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3510	0.000	1	121.3510	0.000	1	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]Br)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	122.4220	0.000	1	122.4220	0.000	1	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.4110	0.000	1	121.4110	0.000	1	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3060	0.144	4	121.3060	0.021	4	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|O<3>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.0750	0.000	1	121.0750	0.000	1	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6a]C[5a,6a]C[6a])	121.1870	0.228	2	121.1870	0.052	2	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<3>}	H(C[6a]C[5a,6a]C[6a])	121.3600	0.000	1	121.3600	0.000	1	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|B<4>,1|C<3>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	122.1275	0.339	4	122.1275	0.115	4	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(O[5a]B[5a,6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]Cl)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(O[5a]B[5a,6])(C[6a]C[6a]H){1|Cl<1>,1|F<1>,1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.6835	0.120	2	121.6835	0.014	2	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	122.5700	0.000	1	122.5700	0.000	1	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]F)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|F<1>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	123.0540	0.000	1	123.0540	0.000	1	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(O[5a]C[5,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(O[5a]C[5,5a])(C[6a]C[6a]H){1|B<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.3210	0.000	1	121.9402	0.025	11	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(O[5a]C[5,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(O[5a]C[5,5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.9750	0.000	1	121.9402	0.025	11	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(O[5a]C[5,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(O[5a]C[5,5a])(C[6a]C[6a]H){1|Ge<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.9330	0.000	1	121.9402	0.025	11	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(O[5a]C[5,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(O[5a]C[5,5a])(C[6a]C[6a]H){1|Ge<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.8960	0.000	1	121.9402	0.025	11	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(O[5a]C[5,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(O[5a]C[5,5a])(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.9150	0.099	6	121.9402	0.025	11	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(O[5a]C[5,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(O[5a]C[5,5a])(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7270	0.000	1	121.9402	0.025	11	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|Cl<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.8920	0.000	1	122.0141	0.116	7	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.9120	0.365	3	122.0141	0.116	7	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7030	0.000	1	122.0141	0.116	7	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){4|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.3840	0.110	2	122.0141	0.116	7	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.9590	0.000	1	121.8700	0.155	27	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.0130	0.000	1	121.8700	0.155	27	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.0159	0.245	11	121.8700	0.155	27	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7076	0.684	7	121.8700	0.155	27	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7990	0.170	3	121.8700	0.155	27	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.8063	0.078	3	121.8700	0.155	27	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5730	0.000	1	121.8700	0.155	27	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|Br<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.5450	0.000	1	121.7088	0.421	94	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5747	0.067	3	121.7088	0.421	94	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	122.0945	0.401	4	121.7088	0.421	94	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|F<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.8315	0.005	2	121.7088	0.421	94	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.7510	0.000	1	121.7088	0.421	94	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7285	0.664	15	121.7088	0.421	94	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.6930	0.739	58	121.7088	0.421	94	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.5350	0.196	4	121.7088	0.421	94	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.9190	0.000	1	121.7088	0.421	94	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3860	0.000	1	121.7088	0.421	94	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|P<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.9120	0.057	2	121.7088	0.421	94	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.8380	0.000	1	121.7088	0.421	94	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3360	0.000	1	121.7088	0.421	94	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[4,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[4,5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|N<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5655	0.187	2	121.5911	0.104	10	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[4,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[4,5a])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<3>}	H(C[6a]C[5a,6a]C[6a])	121.6252	0.534	4	121.5911	0.104	10	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[4,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[4,5a])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<4>}	H(C[6a]C[5a,6a]C[6a])	121.5697	0.109	4	121.5911	0.104	10	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5095	0.220	6	121.3554	0.270	28	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|O<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5210	1.038	4	121.3554	0.270	28	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7615	0.118	2	121.3554	0.270	28	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<3>}	H(C[6a]C[5a,6a]C[6a])	121.2737	0.085	3	121.3554	0.270	28	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|O<2>}	H(C[6a]C[5a,6a]C[6a])	121.5009	0.182	8	121.3554	0.270	28	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H){1|N<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4918	0.043	5	121.3554	0.270	28	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|C<4>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,5a])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|O<2>}	H(C[6a]C[5a,6a]C[6a])	121.1640	0.495	2	121.3877	0.043	56	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6a]C[5a,6a]C[6a])	121.4887	0.083	4	121.3877	0.043	56	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,5a])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|O<2>}	H(C[6a]C[5a,6a]C[6a])	121.3886	0.201	50	121.3877	0.043	56	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2438	0.781	10	121.2855	0.385	50	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|P<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4230	0.031	2	121.2855	0.385	50	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<3>}	H(C[6a]C[5a,6a]C[6a])	120.9058	1.481	6	121.2855	0.385	50	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|O<2>}	H(C[6a]C[5a,6a]C[6a])	121.4350	0.202	12	121.2855	0.385	50	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<3>}	H(C[6a]C[5a,6a]C[6a])	121.3233	0.135	6	121.2855	0.385	50	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|O<2>}	H(C[6a]C[5a,6a]C[6a])	121.4433	0.225	6	121.2855	0.385	50	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2990	0.020	2	121.2855	0.385	50	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2002	0.237	5	121.2855	0.385	50	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<3>}	H(C[6a]C[5a,6a]C[6a])	121.1380	0.000	1	121.2855	0.385	50	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(O[5a]B[5a,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(O[5a]B[5a,5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7980	0.000	1	120.7980	0.000	1	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	H(C[6a]C[5a,6a]C[6a])	121.9440	0.000	1	121.8610	0.013	3	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.8195	0.125	2	121.8610	0.013	3	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(O[5a]B[5a,6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|C<4>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(O[5a]B[5a,6])(C[6a]C[6a]H){1|F<1>,1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7090	0.000	1	121.0935	0.067	4	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(O[5a]B[5a,6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(O[5a]B[5a,6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2030	0.033	2	121.0935	0.067	4	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(O[5a]B[5a,6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(O[5a]B[5a,6])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2590	0.000	1	121.0935	0.067	4	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	124.8700	0.000	1	124.2730	0.713	2	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	123.6760	0.000	1	124.2730	0.713	2	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]N)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	122.8005	0.811	2	122.8005	0.658	2	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(O[5a]B[5a,6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]N)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(O[5a]B[5a,6])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.5160	0.000	1	121.5160	0.000	1	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.6760	0.000	1	121.2790	2.289	3	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|O<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.6070	0.000	1	121.2790	2.289	3	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	122.5540	0.000	1	121.2790	2.289	3	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]2)(O[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[5a,6a]C[6a])(H){6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]2)(O[5a]C[5a,6a])(C[6a]C[6a]H){1|N<2>,1|N<3>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8350	0.000	1	120.8350	0.000	1	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]O[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]O[6a]C)(H){3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	123.2040	2.113	5	123.2040	4.464	5	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]O[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]O[6a]H)(H){3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	122.4880	0.000	1	122.4880	0.000	1	121.5981	0.462	358	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5a,6a]H)(H){1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|H<1>,1|S<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.3273	0.416	6	120.3273	0.173	6	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]2)(S[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5a,6a]H)(H){1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]2)(S[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.2477	3.139	30	119.2477	9.855	30	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a,6])(S[5a]C[5a,6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5a,6a]H)(H){1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a,6])(S[5a]C[5a,6])(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.2460	0.000	1	120.2460	0.000	1	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5a,6a]Si)(H)	C[5a,6a](C[5a,6a]C[5a,6a]2)(S[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5a,6a]Si)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]2)(S[5a]C[5a,6a])(C[6a]C[6a]H){1|Si<4>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.0637	0.079	3	119.0637	0.006	3	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a,6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a,6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5595	0.154	4	120.5595	0.024	4	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0248	1.530	10	121.0248	2.340	10	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5,5a])(S[5a]C[5,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5,5a])(S[5a]C[5,5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5620	0.000	1	120.7133	0.024	3	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5,5a])(S[5a]C[5,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5,5a])(S[5a]C[5,5a])(C[6a]C[6a]H){1|H<1>,1|P<4>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7890	0.117	2	120.7133	0.024	3	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]2)(H){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8800	0.000	1	120.1444	0.200	11	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]2)(H){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|H<1>,1|S<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.0708	0.396	10	120.1444	0.200	11	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]Br)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|S<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.7230	0.000	2	121.7230	0.000	2	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H){1|H<1>,1|P<4>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8110	0.066	2	120.8110	0.004	2	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.1701	0.370	22	120.1915	0.134	24	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|H<1>,1|S<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4265	0.295	2	120.1915	0.134	24	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.2570	0.000	1	120.8460	0.262	3	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1405	0.062	2	120.8460	0.262	3	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.3195	0.647	2	120.3195	0.419	2	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3580	0.000	1	121.3580	0.000	1	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.5975	0.135	2	121.5975	0.018	2	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6730	0.000	1	120.9455	0.629	41	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H){1|B<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7937	0.039	3	120.9455	0.629	41	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5020	0.000	1	120.9455	0.629	41	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|S<2>}	H(C[6a]C[5a,6a]C[6a])	120.8730	0.000	1	120.9455	0.629	41	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7930	0.161	4	120.9455	0.629	41	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8040	0.000	1	120.9455	0.629	41	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7910	0.000	1	120.9455	0.629	41	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8648	0.321	13	120.9455	0.629	41	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7915	0.223	2	120.9455	0.629	41	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H){1|Si<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6970	0.577	5	120.9455	0.629	41	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.4731	1.542	9	120.9455	0.629	41	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5150	0.184	2	120.6646	0.178	63	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0475	0.155	2	120.6646	0.178	63	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7189	0.123	17	120.6646	0.178	63	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7073	0.109	4	120.6646	0.178	63	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6737	0.384	35	120.6646	0.178	63	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.0383	1.431	3	120.6646	0.178	63	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7603	0.243	3	120.8323	0.120	28	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|Cl<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7220	0.000	1	120.8323	0.120	28	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|F<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6880	0.000	1	120.8323	0.120	28	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9081	0.109	7	120.8323	0.120	28	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8593	0.267	4	120.8323	0.120	28	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,2|B<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9580	0.021	2	120.8323	0.120	28	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5168	0.322	5	120.8323	0.120	28	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0170	0.000	1	120.8323	0.120	28	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1517	0.855	3	120.8323	0.120	28	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H){2|Si<4>,1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8460	0.000	1	120.8323	0.120	28	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|Br<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5050	0.000	1	120.8300	0.141	125	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|B<3>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.4847	0.442	3	120.8300	0.141	125	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8000	0.000	1	120.8300	0.141	125	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	H(C[6a]C[5a,6a]C[6a])	121.4810	0.000	1	120.8300	0.141	125	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8670	0.316	10	120.8300	0.141	125	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9374	0.135	8	120.8300	0.141	125	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9200	0.000	1	120.8300	0.141	125	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8015	0.393	90	120.8300	0.141	125	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.3000	0.000	1	120.8300	0.141	125	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8140	0.000	1	120.8300	0.141	125	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7716	0.080	8	120.8300	0.141	125	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(S[5a]C[5,5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9120	0.000	1	120.9120	0.000	1	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8862	0.211	9	120.8339	0.054	12	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6770	0.263	3	120.8339	0.054	12	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H){1|B<3>,1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9975	0.101	2	120.9975	0.010	2	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4100	0.000	1	120.8990	0.522	2	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.3880	0.000	1	120.8990	0.522	2	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.7580	0.000	1	121.7580	0.000	1	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1557	0.273	7	121.0047	0.111	10	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6523	0.102	3	121.0047	0.111	10	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(S[5a]C[5a,6])(C[6a]C[6a]H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6570	0.150	2	120.6570	0.022	2	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1690	0.000	1	121.1690	0.000	1	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2115	0.186	2	121.2115	0.035	2	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7280	0.000	1	120.7280	0.000	1	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]S)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]S)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|H<1>,1|S<2>,1|S<4>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.6030	0.000	1	121.6030	0.000	1	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]Si)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]Si)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(S[5a]C[5a,5a])(C[6a]C[6a]H){1|Si<4>,1|H<1>,1|S<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.8027	0.051	3	119.8027	0.003	3	120.6298	1.182	399	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.1195	0.128	6	120.1195	0.016	6	119.9495	0.162	24	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)(H){1|H<1>,5|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){5|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.5285	0.033	2	119.5285	0.001	2	119.9495	0.162	24	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.2610	0.000	1	119.2610	0.000	1	119.9495	0.162	24	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.7300	0.000	1	119.5605	0.057	2	119.9495	0.162	24	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.3910	0.000	1	119.5605	0.057	2	119.9495	0.162	24	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.8050	0.000	1	119.8050	0.000	1	119.9495	0.162	24	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6695	0.592	2	120.6695	0.350	2	119.9495	0.162	24	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.9487	0.310	10	119.9487	0.096	10	119.9495	0.162	24	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]O[5a])(C[6a]C[6a]H)(H){4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2220	0.000	1	121.2220	0.000	1	121.2220	0.000	1	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:N[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]N[6a]H)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(H){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]N[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]N[6a])	119.7615	0.043	2	119.7615	0.002	2	119.7615	0.002	2	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6a]-3:N[6a]-3:H-1:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]N[6a]H)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]C)(H){1|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]N[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]N[6a])	120.0780	0.000	1	120.0780	0.000	1	120.0780	0.000	1	121.0228	0.926	997	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5,6a]C[5,5,6]C[5,6a])(C[5a,6a]C[5a,6a]O[5a])(H){1|H<1>,3|C<3>,3|C<4>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6a]C[5a,6a]C[5,6a])	122.2165	0.049	2	122.2165	0.002	2	122.2165	0.002	2	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[5,6a]C[5,6a,6a]S[5])(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[6a]C[5,6a]H)(S[5a]S[5a])	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[5,6a]C[5,6a,6a]S[5])(H){2|S<2>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[6a]C[5,6a]H)(S[5a]S[5a]){1|S<2>,3|C<3>}	H(C[6a]C[5a,6a]C[5,6a])	121.0660	0.074	2	121.0660	0.005	2	121.0660	0.005	2	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]2)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]S[5a])	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]2)(H){1|C<4>,1|N<2>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]S[5a]){1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[5,6a])	121.5973	0.105	4	121.5973	0.011	4	121.3772	0.866	23	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5,5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]N[5a])	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5,5])(H){1|N<2>,1|N<3>,2|C<3>,3|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[5,6a])	120.1890	0.000	1	120.1890	0.000	1	121.3772	0.866	23	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5,5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]S[5a])	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5,5])(H){1|N<2>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]S[5a]){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[5a,6a]C[5,6a])	121.8160	0.144	4	121.8160	0.021	4	121.3772	0.866	23	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	H(C[6a]C[5a,6a]C[5,6a])	122.2530	0.000	1	122.2530	0.000	1	121.3772	0.866	23	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H){1|Co<4>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[5,6a])	121.8930	0.044	2	121.8930	0.002	2	121.3772	0.866	23	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,2|C<3>,2|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6a]C[5a,6a]C[5,6a])	123.3240	0.000	1	123.3240	0.000	1	121.3772	0.866	23	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]){1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[5a,6a]C[5,6a])	122.1525	0.028	2	122.1525	0.001	2	121.3772	0.866	23	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]S[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]S[5a])	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]S[5])(H){1|C<3>,2|N<2>,2|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]S[5a]){1|C<3>,1|H<1>,1|S<2>}	H(C[6a]C[5a,6a]C[5,6a])	120.5206	0.795	8	120.5206	0.632	8	121.3772	0.866	23	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]C[5])(H){1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a]){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6a]C[5a,6a]C[5,6a])	122.1360	0.000	1	122.2140	0.012	2	123.3551	0.217	16	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]C[5])(H){2|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a]){1|H<1>,1|O<1>,3|C<3>}	H(C[6a]C[5a,6a]C[5,6a])	122.2920	0.000	1	122.2140	0.012	2	123.3551	0.217	16	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]C[5])(H){1|O<1>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(O[5a]C[5a]){1|O<1>,2|C<3>,2|C<4>}	H(C[6a]C[5a,6a]C[5,6a])	123.4390	0.000	1	123.4390	0.000	1	123.3551	0.217	16	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(C[6a]C[5a,6a]C[5,6a])	123.2030	0.000	1	123.5116	0.021	12	123.3551	0.217	16	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<3>}	H(C[6a]C[5a,6a]C[5,6a])	123.4630	0.000	1	123.5116	0.021	12	123.3551	0.217	16	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<4>}	H(C[6a]C[5a,6a]C[5,6a])	123.5910	0.000	1	123.5116	0.021	12	123.3551	0.217	16	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[5a,6a]C[5,6a])	123.5120	0.000	1	123.5116	0.021	12	123.3551	0.217	16	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a]){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	H(C[6a]C[5a,6a]C[5,6a])	123.6080	0.000	1	123.5116	0.021	12	123.3551	0.217	16	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a]){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	H(C[6a]C[5a,6a]C[5,6a])	123.5742	0.103	6	123.5116	0.021	12	123.3551	0.217	16	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a]){1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[5a,6a]C[5,6a])	123.3170	0.000	1	123.5116	0.021	12	123.3551	0.217	16	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6a]C[5a,6a]C[5,6a])	123.6760	0.000	1	123.6760	0.000	1	123.3551	0.217	16	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]2)(H){1|C<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[5,6a])	121.1510	0.024	2	121.1510	0.001	2	121.6534	0.408	8	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]C[5])(H){1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(S[5a]C[5a]){1|Cl<1>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[5,6a])	120.6600	0.000	1	120.6600	0.000	1	121.6534	0.408	8	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(S[5a]C[5a]){1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[5a,6a]C[5,6a])	122.4385	0.039	2	122.4385	0.002	2	121.6534	0.408	8	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]S[5])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]H)(S[5a]N[5a])	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]S[5])(H){1|C<3>,2|N<2>,2|S<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]H)(S[5a]N[5a]){1|C<3>,1|H<1>,1|S<2>}	H(C[6a]C[5a,6a]C[5,6a])	121.7960	0.186	3	121.7960	0.034	3	121.6534	0.408	8	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|N<2>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|C<2>,1|C<3>,1|H<1>,1|O<2>}	H(C[6a]C[5a,6a]2)	123.8490	0.000	1	123.6920	0.026	3	122.3109	0.729	16	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|N<2>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6a]C[5a,6a]2)	123.5250	0.000	1	123.6920	0.026	3	122.3109	0.729	16	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|N<2>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|C<3>,1|O<2>,2|H<1>}	H(C[6a]C[5a,6a]2)	123.7020	0.000	1	123.6920	0.026	3	122.3109	0.729	16	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|N<2>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	H(C[6a]C[5a,6a]2)	121.5883	0.256	3	121.6071	0.045	7	122.3109	0.729	16	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|N<2>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5a,6a]2)	121.4700	0.000	1	121.6071	0.045	7	122.3109	0.729	16	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|N<2>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|H<1>,1|S<2>,2|C<3>}	H(C[6a]C[5a,6a]2)	121.6717	0.230	3	121.6071	0.045	7	122.3109	0.729	16	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])2(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	H(C[6a]C[5a,6a]2)	122.9310	0.000	1	122.4642	0.436	4	122.3109	0.729	16	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])2(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]2)	122.3115	1.009	2	122.4642	0.436	4	122.3109	0.729	16	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])2(H){1|Ru<6>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[5a,6a]2)	122.3030	0.000	1	122.4642	0.436	4	122.3109	0.729	16	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])2(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])2(H){2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[5a,6a]2)	122.3960	0.069	2	122.3960	0.005	2	122.3109	0.729	16	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a,6a])	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|C<4>,1|N<3>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a,6a]){4|C<3>}	H(C[6a]C[5a,6a]2)	123.3590	0.000	1	123.3590	0.000	1	123.1184	0.369	37	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|O<2>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a]){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	H(C[6a]C[5a,6a]2)	122.8250	0.000	1	122.6651	0.291	12	123.1184	0.369	37	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]2)	122.4140	0.144	2	122.6651	0.291	12	123.1184	0.369	37	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a]){1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[5a,6a]2)	122.4040	0.032	3	122.6651	0.291	12	123.1184	0.369	37	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a]){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5a,6a]2)	121.8340	0.000	1	122.6651	0.291	12	123.1184	0.369	37	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a]){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]2)	123.0564	0.585	5	122.6651	0.291	12	123.1184	0.369	37	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a,6a])	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a,6a]){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5a,6a]2)	122.9970	0.000	1	122.9062	0.013	5	123.1184	0.369	37	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a,6a])	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|S<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a,6a]){1|C<4>,1|N<3>,3|C<3>}	H(C[6a]C[5a,6a]2)	122.9795	0.021	2	122.9062	0.013	5	123.1184	0.369	37	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a,6a])	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|S<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a,6a]){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5a,6a]2)	122.8250	0.000	1	122.9062	0.013	5	123.1184	0.369	37	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a,6a])	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|S<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a,6a]){1|N<3>,4|C<3>}	H(C[6a]C[5a,6a]2)	122.7500	0.000	1	122.9062	0.013	5	123.1184	0.369	37	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|N<2>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(O[5a]C[5a]){1|C<2>,1|C<3>,1|H<1>,1|N<2>}	H(C[6a]C[5a,6a]2)	123.8510	0.000	1	123.7150	0.046	3	123.1184	0.369	37	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|N<2>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[6a]C[5a,6a]2)	123.4670	0.000	1	123.7150	0.046	3	123.1184	0.369	37	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|N<2>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(O[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]2)	123.8270	0.000	1	123.7150	0.046	3	123.1184	0.369	37	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a,6a])	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5a,6a]C[5a,6a]2)(H){1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a,6a]){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]2)	122.2490	0.075	2	122.4473	0.121	3	123.1184	0.369	37	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a,6a])	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5a,6a]C[5a,6a]2)(H){1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a,6a]){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]2)	122.8440	0.000	1	122.4473	0.121	3	123.1184	0.369	37	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]O[5a])2(H){2|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(O[5a]C[5a]){1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[5a,6a]2)	123.9790	0.000	1	123.9790	0.000	1	123.1184	0.369	37	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])2(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(O[5a]B[5a])	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]O[5a])2(H){1|C<3>,2|B<3>,2|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(O[5a]B[5a]){1|C<3>,1|O<2>,2|H<1>}	H(C[6a]C[5a,6a]2)	123.4805	0.111	2	123.5869	0.104	12	123.1184	0.369	37	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])2(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(O[5a]B[5a])	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]O[5a])2(H){1|C<3>,2|B<3>,2|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(O[5a]B[5a]){1|Cl<1>,1|C<3>,1|H<1>,1|O<2>}	H(C[6a]C[5a,6a]2)	123.6895	1.039	2	123.5869	0.104	12	123.1184	0.369	37	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])2(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(O[5a]B[5a])	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]O[5a])2(H){1|C<3>,2|B<3>,2|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(O[5a]B[5a]){1|Fe<8>,1|C<3>,1|H<1>,1|O<2>}	H(C[6a]C[5a,6a]2)	123.5807	0.030	6	123.5869	0.104	12	123.1184	0.369	37	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])2(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(O[5a]B[5a])	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]O[5a])2(H){1|C<3>,2|B<3>,2|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(O[5a]B[5a]){1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[5a,6a]2)	123.6095	0.040	2	123.5869	0.104	12	123.1184	0.369	37	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,5a])	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]S[5a])(H){2|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,5a]){1|H<1>,1|S<2>,3|C<3>}	H(C[6a]C[5a,6a]2)	121.0587	0.369	6	121.0587	0.136	6	121.2472	1.178	62	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]S[5a])(H){2|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]2)	120.7180	0.000	1	120.7180	0.000	1	121.2472	1.178	62	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5,5a])	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|Si<4>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5,5a]){1|Si<4>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]2)	120.8670	0.000	1	121.2260	0.258	2	121.2472	1.178	62	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5,5a])	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[5a,6a]C[5a,6a]S[5a])(H){2|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5,5a]){1|H<1>,2|C<3>,2|S<2>}	H(C[6a]C[5a,6a]2)	121.5850	0.000	1	121.2260	0.258	2	121.2472	1.178	62	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,6])	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[5a,6a]C[5a,6a]S[5a])(H){1|C<4>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,6]){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	H(C[6a]C[5a,6a]2)	121.0280	0.000	1	120.9405	0.038	4	121.2472	1.178	62	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,6])	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[5a,6a]C[5a,6a]S[5a])(H){2|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,6]){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	H(C[6a]C[5a,6a]2)	121.0130	0.000	1	120.9405	0.038	4	121.2472	1.178	62	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,6])	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[5a,6a]C[5a,6a]S[5a])(H){2|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,6]){1|H<1>,2|C<3>,2|S<2>}	H(C[6a]C[5a,6a]2)	120.8605	0.296	2	120.9405	0.038	4	121.2472	1.178	62	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,5a])	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,5a]){1|H<1>,1|S<2>,3|C<3>}	H(C[6a]C[5a,6a]2)	120.4550	0.000	1	120.4550	0.000	1	121.2472	1.178	62	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){1|B<6>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]2)	120.9958	0.126	4	120.9963	0.159	14	121.2472	1.178	62	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]2)	121.1840	0.374	3	120.9963	0.159	14	121.2472	1.178	62	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]2)	121.0187	0.068	4	120.9963	0.159	14	121.2472	1.178	62	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]2)	119.8010	0.000	1	120.9963	0.159	14	121.2472	1.178	62	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|Se<2>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){1|Se<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]2)	121.4130	0.000	1	120.9963	0.159	14	121.2472	1.178	62	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H){2|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]2)	121.1240	0.000	1	120.9963	0.159	14	121.2472	1.178	62	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,6a])	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|S<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,6a]){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5a,6a]2)	122.0040	0.000	1	122.0040	0.000	1	121.2472	1.178	62	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|S<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[5a,6a]2)	121.8030	0.000	2	121.9187	0.040	3	121.2472	1.178	62	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|S<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]2)	122.1500	0.000	1	121.9187	0.040	3	121.2472	1.178	62	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|N<2>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[6a]C[5a,6a]2)	121.6380	0.192	3	121.6286	0.053	7	121.2472	1.178	62	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|N<2>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]2)	121.4540	0.000	1	121.6286	0.053	7	121.2472	1.178	62	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|N<2>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[5a,6a]2)	121.6773	0.319	3	121.6286	0.053	7	121.2472	1.178	62	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,6a])	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(H){1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]2)	121.1415	0.265	2	120.4698	0.212	8	121.2472	1.178	62	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,6a])	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(H){1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]2)	120.2458	0.206	6	120.4698	0.212	8	121.2472	1.178	62	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])2(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,5a])	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]S[5a])2(H){5|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a,5a]){1|H<1>,2|C<3>,2|S<2>}	H(C[6a]C[5a,6a]2)	121.3918	2.303	6	121.3918	5.305	6	121.2472	1.178	62	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])2(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]S[5a])2(H){5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6a]C[5a,6a]2)	121.9243	0.191	3	122.3746	3.482	7	121.2472	1.178	62	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])2(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]S[5a])2(H){5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){1|C<3>,1|S<2>,3|H<1>}	H(C[6a]C[5a,6a]2)	122.4040	4.400	2	122.3746	3.482	7	121.2472	1.178	62	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])2(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]S[5a])2(H){5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(S[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]2)	123.0205	0.139	2	122.3746	3.482	7	121.2472	1.178	62	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])2(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(S[5a]B[5a])	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]S[5a])2(H){1|C<3>,2|B<3>,2|S<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(S[5a]B[5a]){1|Br<1>,1|C<3>,1|H<1>,1|S<2>}	H(C[6a]C[5a,6a]2)	120.8755	0.049	2	120.8755	0.002	2	121.2472	1.178	62	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(H){2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)(N[5a]C[5a]){1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6,6a])	120.3970	0.000	1	120.3970	0.000	1	120.4622	0.099	4	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6,6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6,6a]H)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6,6a])	120.9240	0.000	1	120.9240	0.000	1	120.4622	0.099	4	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6,6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(H){1|N<3>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6,6a]H)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6,6a])	120.2640	0.000	2	120.2640	0.000	2	120.4622	0.099	4	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6,6a,6a]C[6])(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6,6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6,6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6,6a,6a]C[6])(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6,6a]H)(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6,6a])	120.8900	0.000	1	120.8900	0.000	1	122.5600	5.957	5	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6,6a]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6,6a]H)(O[5a]C[5a,6a])	H(C[6a]C[5a,6a]C[6,6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6,6a]H)(O[5a]C[5a,6a]){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6,6a])	126.7650	0.000	1	123.8205	17.340	2	122.5600	5.957	5	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6,6a]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6,6a]H)(O[5a]C[5a,6a])	H(C[6a]C[5a,6a]C[6,6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6,6a]C[6])(H){2|C<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6,6a]H)(O[5a]C[5a,6a]){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6,6a])	120.8760	0.000	1	123.8205	17.340	2	122.5600	5.957	5	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6,6a]C[6])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6,6a]H)(O[5a]N[5a])	H(C[6a]C[5a,6a]C[6,6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6,6a]C[6])(H){1|N<2>,2|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6,6a]H)(O[5a]N[5a]){1|C<3>,1|C<4>,2|O<2>}	H(C[6a]C[5a,6a]C[6,6a])	121.8510	0.000	1	121.8510	0.000	1	122.5600	5.957	5	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6,6a]N[6])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6,6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6,6a]N[6])(H){3|C<3>,3|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)(O[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[5a,6a]C[6,6a])	122.4180	0.000	1	122.4180	0.000	1	122.5600	5.957	5	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6,6a]C[6,6a]N[6])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6,6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6,6a]C[6,6a]N[6])(H){3|C<3>,3|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)(S[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[5a,6a]C[6,6a])	121.3790	0.000	2	121.3790	0.000	2	121.1780	0.121	3	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6,6a]C[6,6a]O[6])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6,6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6,6a]C[6,6a]O[6])(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6a]C[5a,6a]C[6,6a])	120.7760	0.000	1	120.7760	0.000	1	121.1780	0.121	3	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a,6a]C[3x6a]C[6a])(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[6a]C[6a,6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a,6a]C[3x6a]C[6a])(H){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[6a]C[6a,6a]H)(S[5a]C[5a]){1|N<2>,4|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	119.8760	0.000	1	119.8760	0.000	1	119.8760	0.000	1	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a,6a])	120.4900	0.031	2	120.3303	0.077	3	120.5513	0.206	6	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	120.0110	0.000	1	120.3303	0.077	3	120.5513	0.206	6	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	120.7580	0.000	1	120.7580	0.000	1	120.5513	0.206	6	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6])	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6]){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	120.2400	0.000	1	120.2400	0.000	1	120.5513	0.206	6	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(H){1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a,6a])	121.3190	0.000	1	121.3190	0.000	1	120.5513	0.206	6	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]2)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)(O[5a]B[5a,6])	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]2)(H){1|B<4>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)(O[5a]B[5a,6]){1|H<1>,2|C<3>,2|N<3>}	H(C[6a]C[5a,6a]C[6a,6a])	120.4295	0.146	6	120.4295	0.021	6	121.1496	0.895	37	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(O[5a]C[5a,6a])	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(O[5a]C[5a,6a]){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	120.7140	0.088	2	121.0317	0.307	3	121.1496	0.895	37	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(O[5a]C[5a,6a])	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(O[5a]C[5a,6a]){5|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	121.6670	0.000	1	121.0317	0.307	3	121.1496	0.895	37	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(O[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	121.3330	0.000	1	121.3330	0.000	1	121.1496	0.895	37	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(O[5a]C[5a]){1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	121.9230	0.000	1	121.9230	0.000	1	121.1496	0.895	37	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)(O[5a]B[5a,5a])	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|B<4>,1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)(O[5a]B[5a,5a]){2|O<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	120.8828	0.249	18	120.8828	0.062	18	121.1496	0.895	37	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)(O[5a]B[5a,6])	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|B<4>,1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)(O[5a]B[5a,6]){1|H<1>,2|C<3>,2|O<2>}	H(C[6a]C[5a,6a]C[6a,6a])	123.2565	2.980	2	123.2565	8.883	2	121.1496	0.895	37	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)(O[5a]B[5a])	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|B<4>,1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)(O[5a]B[5a]){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	120.7785	0.026	2	120.7785	0.001	2	121.1496	0.895	37	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]O[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]O[6a])(H){5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(O[5a]C[5a]){1|C<3>,2|H<1>,2|O<2>}	H(C[6a]C[5a,6a]C[6a,6a])	122.4115	0.565	4	122.4115	0.319	4	121.1496	0.895	37	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a,6a]H)(S[5a]C[5a,5a])	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a,6a]H)(S[5a]C[5a,5a]){1|H<1>,1|S<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	120.2149	0.598	16	120.2149	0.357	16	120.5479	1.662	31	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(S[5a]C[5a,6a])	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|C<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	120.1787	0.104	3	120.2076	0.029	8	120.5479	1.662	31	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(S[5a]C[5a,6a])	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|C<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	120.1580	0.000	1	120.2076	0.029	8	120.5479	1.662	31	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(S[5a]C[5a,6a])	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	120.3423	0.160	3	120.2076	0.029	8	120.5479	1.662	31	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(S[5a]C[5a,6a])	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(H){6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	119.9400	0.000	1	120.2076	0.029	8	120.5479	1.662	31	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|C<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	120.2990	0.024	2	121.6980	5.390	7	120.5479	1.662	31	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a,6a])	120.4640	0.000	1	121.6980	5.390	7	120.5479	1.662	31	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(S[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a,6a])	126.1050	0.000	1	121.6980	5.390	7	120.5479	1.662	31	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(S[5a]C[5a]){1|Si<4>,1|H<1>,1|I<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	123.7960	0.000	1	121.6980	5.390	7	120.5479	1.662	31	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a,6a])	120.4615	0.138	2	121.6980	5.390	7	120.5479	1.662	31	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(O[5a]C[5a,6a])	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]N[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,5|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(O[5a]C[5a,6a]){1|O<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	121.4225	0.467	2	121.4225	0.218	2	121.4225	0.218	2	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3375	0.173	2	121.3375	0.030	2	121.3680	0.011	5	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3985	0.100	2	121.3883	0.005	3	121.3680	0.011	5	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3680	0.000	1	121.3883	0.005	3	121.3680	0.011	5	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6,6a]O[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6,6a]O[5a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	122.5675	0.662	8	122.5675	0.439	8	121.0726	1.508	39	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	122.0075	0.023	2	122.0075	0.001	2	121.0726	1.508	39	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(O[5a]B[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(O[5a]B[5a]){1|H<1>,1|O<2>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0925	0.439	2	120.5958	1.000	29	121.0726	1.508	39	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(O[5a]B[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(O[5a]B[5a]){1|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5562	1.045	26	120.5958	1.000	29	121.0726	1.508	39	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(O[5a]B[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6,6a]O[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|B<4>,1|C<3>,1|N<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(O[5a]B[5a]){1|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6310	0.000	1	120.5958	1.000	29	121.0726	1.508	39	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]O[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]O[5a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|O<2>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	122.4260	0.000	1	122.4260	0.000	1	122.6165	0.073	2	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]O[5a])(C[6a]N[6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]O[5a])(C[6a]N[6a]H)(H){3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	122.8070	0.000	1	122.8070	0.000	1	122.6165	0.073	2	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[5a,6a]H)(H){4|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.1972	1.268	4	119.1972	1.607	4	120.3583	0.961	19	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[6a]C[6a]H)(S[5a]S[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a,6a]H)(H){1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[6a]C[6a]H)(S[5a]S[5a]){1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5250	0.211	4	120.5250	0.044	4	120.3583	0.961	19	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6514	1.082	5	120.6358	0.694	8	120.3583	0.961	19	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6097	0.298	3	120.6358	0.694	8	120.3583	0.961	19	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(S[5a]S[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(S[5a]S[5a]){1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0405	0.523	2	120.9443	0.164	3	120.3583	0.961	19	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(S[5a]S[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a]H)(H){1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(S[5a]S[5a]){1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7520	0.000	1	120.9443	0.164	3	120.3583	0.961	19	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H){1|C<3>,1|N<2>,1|N<3>,1|S<2>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0200	0.150	2	120.3091	0.695	8	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H){1|C<3>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.0722	0.836	6	120.3091	0.695	8	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H){1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.9970	0.198	2	119.9397	0.029	3	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H){1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|H<1>,2|N<3>}	H(C[6a]C[5a,6a]C[6a])	119.8250	0.000	1	119.9397	0.029	3	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]N)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]N)(H){1|C<3>,1|S<2>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|C<3>,1|N<2>,1|N<3>}	H(C[6a]C[5a,6a]C[6a])	120.3300	0.000	1	120.3300	0.000	1	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a]C[6a])(H){1|H<1>,1|N<2>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1000	0.000	1	121.1000	0.000	1	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]O[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a]C[6a])(H){1|H<1>,1|O<2>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]O[5a]){1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2990	0.000	1	121.2990	0.000	1	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a]C[6a])(H){1|N<2>,1|N<3>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.8735	0.112	2	119.8735	0.013	2	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7820	0.000	1	120.0208	1.593	17	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	118.3732	1.197	5	120.0208	1.593	17	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Co<5>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5780	0.000	1	120.0208	1.593	17	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Co<6>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5550	0.348	2	120.0208	1.593	17	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7898	0.189	5	120.0208	1.593	17	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8485	0.001	2	120.0208	1.593	17	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3720	0.000	1	120.0208	1.593	17	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){1|C<3>,1|N<2>,1|N<3>,1|S<2>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5990	0.000	1	120.1845	0.344	2	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){1|N<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.7700	0.000	1	120.1845	0.344	2	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7260	0.000	1	120.7260	0.000	1	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){1|N<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9866	0.350	10	120.9866	0.123	10	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.6585	0.087	2	121.6585	0.008	2	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5740	0.024	2	120.5740	0.001	2	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6230	0.140	2	120.6230	0.020	2	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H){2|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7295	0.028	2	120.7295	0.001	2	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]S[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H){1|H<1>,1|S<2>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]S[5a]){2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2000	0.000	1	121.2000	0.000	1	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.0300	0.000	1	122.1993	0.083	15	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Br<1>,1|C<4>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	122.2114	0.295	14	122.1993	0.083	15	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,1|I<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6610	0.000	1	120.9877	0.080	3	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1320	0.000	1	120.9877	0.080	3	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1700	0.000	1	120.9877	0.080	3	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]O[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]O[5a]){2|C<3>,2|N<3>}	H(C[6a]C[5a,6a]C[6a])	120.6405	0.144	2	120.6405	0.021	2	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.1520	0.000	1	120.7786	0.230	81	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.1357	0.338	3	120.7786	0.230	81	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.9653	0.122	6	120.7786	0.230	81	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|H<1>,3|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.1210	0.000	1	120.7786	0.230	81	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4748	0.247	9	120.7786	0.230	81	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2225	0.244	2	120.7786	0.230	81	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cu<5>,1|C<3>,1|H<1>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.2670	0.000	1	120.7786	0.230	81	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.2307	0.115	6	120.7786	0.230	81	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Ru<6>,1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.3230	0.000	1	120.7786	0.230	81	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7883	0.205	4	120.7786	0.230	81	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3103	0.190	3	120.7786	0.230	81	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1075	0.172	25	120.7786	0.230	81	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5160	0.000	1	120.7786	0.230	81	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.8486	0.365	7	120.7786	0.230	81	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0918	0.154	8	120.7786	0.230	81	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.4510	0.034	2	120.7786	0.230	81	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0370	0.000	1	120.7786	0.230	81	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|H<1>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.6145	0.254	2	120.5870	0.034	3	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5320	0.000	1	120.5870	0.034	3	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]O[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]O[5a]){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5680	0.000	1	121.5680	0.000	1	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<2>,1|C<3>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|C<2>,1|C<3>,1|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3377	0.190	10	120.3852	0.057	11	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8600	0.000	1	120.3852	0.057	11	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	H(C[6a]C[5a,6a]C[6a])	120.8820	0.000	1	120.6674	0.210	13	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,3|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.0437	0.551	3	120.6674	0.210	13	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8067	0.225	7	120.6674	0.210	13	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.0080	0.188	2	120.6674	0.210	13	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[6a]C[5a,6a]C[6a])	120.0240	0.000	1	120.0240	0.000	1	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.1470	1.396	2	122.0613	0.667	4	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.8670	0.000	1	122.0613	0.667	4	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.0840	0.000	1	122.0613	0.667	4	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.1158	0.096	5	121.9063	0.073	12	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[5a,6a]C[6a])	121.9840	0.000	1	121.9063	0.073	12	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<3>,1|H<1>,1|S<2>}	H(C[6a]C[5a,6a]C[6a])	121.9950	0.000	1	121.9063	0.073	12	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.6636	0.247	5	121.9063	0.073	12	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|F<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[5a,6a]C[6a])	121.5090	0.000	1	121.3253	0.039	6	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2886	0.197	5	121.3253	0.039	6	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H){1|F<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|F<1>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.5190	0.000	1	122.1380	0.290	2	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H){2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|F<1>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7570	0.000	1	122.1380	0.290	2	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.9940	0.000	1	120.7331	0.813	51	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<2>,1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.6760	0.000	1	120.7331	0.813	51	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|Se<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1170	0.000	1	120.7331	0.813	51	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2440	0.000	1	120.7331	0.813	51	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2370	0.000	1	120.7331	0.813	51	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9813	0.364	3	120.7331	0.813	51	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0430	0.324	11	120.7331	0.813	51	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0190	0.000	1	120.7331	0.813	51	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5460	0.000	1	120.7331	0.813	51	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|Os<9>,1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2870	0.000	1	120.7331	0.813	51	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|P<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2420	0.000	1	120.7331	0.813	51	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|Ru<6>,1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8140	0.000	1	120.7331	0.813	51	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4632	1.051	17	120.7331	0.813	51	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2442	0.176	5	120.7331	0.813	51	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1170	0.000	1	120.7331	0.813	51	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.0680	0.000	1	120.7331	0.813	51	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	117.4180	0.000	1	120.7331	0.813	51	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0070	0.000	1	120.7331	0.813	51	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0890	0.000	1	120.7331	0.813	51	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]O[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]O[5a]){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4415	0.022	2	121.4197	0.364	6	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]O[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|I<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]O[5a]){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7125	1.203	2	121.4197	0.364	6	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]O[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]O[5a]){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1120	0.000	1	121.4197	0.364	6	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]O[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]O[5a]){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0980	0.000	1	121.4197	0.364	6	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1200	0.021	2	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0520	0.000	1	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<2>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7940	0.000	1	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4240	0.040	2	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.4650	0.000	1	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8400	0.000	1	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,1|S<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9520	0.000	1	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7810	0.000	1	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Ag<2>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1080	0.000	1	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Al<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0907	0.363	3	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Al<5>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8540	0.000	1	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Au<2>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2330	0.000	1	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|B<6>,1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1230	0.000	1	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|I<1>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2990	0.000	1	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8020	0.099	2	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3110	0.380	3	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|P<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1367	0.176	6	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0830	0.000	1	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0289	0.215	8	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9757	0.887	184	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6540	0.000	1	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9275	0.147	6	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,1|P<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9510	0.000	1	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,1|S<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9600	0.095	2	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1097	0.256	37	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|P<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2063	0.150	3	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<2>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0560	0.620	12	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.1150	0.731	2	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1017	0.525	57	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3258	1.747	12	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8447	0.237	6	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0172	0.681	118	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cd<6>,1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2520	0.000	1	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1736	0.110	5	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Co<5>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5660	0.185	4	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Co<6>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9393	0.126	7	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cu<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3320	0.000	1	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cu<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3045	0.398	2	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cu<4>,1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6400	0.013	2	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cu<4>,1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.4500	0.000	1	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cu<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2815	0.303	4	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cu<5>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5658	0.332	5	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cu<5>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2310	0.000	1	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Fe<5>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7947	0.213	3	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Fe<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7083	0.042	3	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Fe<6>,1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6390	0.000	1	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Fe<6>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2447	0.282	3	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8790	0.000	1	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Ir<6>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7083	0.446	3	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Ir<8>,1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9710	0.000	1	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9697	0.166	6	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Ni<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9980	0.055	2	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Ni<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5680	0.000	1	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Ni<6>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	111.0280	0.000	1	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Os<6>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3360	0.433	2	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Re<6>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0570	0.000	1	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Ru<6>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0981	0.361	9	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Ru<8>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1990	0.000	1	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Ru<9>,1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9490	0.000	1	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7230	0.000	1	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|S<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7640	0.000	1	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3757	0.838	6	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0438	0.145	6	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Zn<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7370	0.000	1	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Zn<5>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2357	0.460	3	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Zn<6>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4380	0.000	1	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0527	0.603	167	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0979	0.213	53	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7910	0.000	1	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4450	0.000	1	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	118.0850	0.000	1	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<2>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9880	0.000	1	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2100	0.000	2	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3690	0.000	1	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9360	0.088	2	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6187	0.045	3	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1520	0.000	1	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7140	0.000	1	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0110	0.000	1	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1480	0.112	2	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0940	0.679	4	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9105	0.235	2	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7690	0.000	1	121.0285	0.570	814	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0410	0.000	1	121.5323	0.351	329	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4748	0.260	173	121.5323	0.351	329	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6580	0.397	2	121.5323	0.351	329	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|O<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4510	0.288	12	121.5323	0.351	329	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|S<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6205	0.065	4	121.5323	0.351	329	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.8456	0.675	18	121.5323	0.351	329	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|Cl<1>,1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6550	0.000	1	121.5323	0.351	329	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|H<1>,1|I<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.5260	0.000	1	121.5323	0.351	329	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6109	0.823	115	121.5323	0.351	329	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3090	0.000	1	121.5323	0.351	329	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	117.7850	0.000	1	121.5323	0.351	329	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]O[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]O[5a]){1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6550	0.000	1	121.5240	0.013	3	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]O[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]O[5a]){1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4580	0.000	1	121.5240	0.013	3	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]O[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]O[5a]){1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4590	0.000	1	121.5240	0.013	3	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|C<3>,1|H<1>,1|I<1>}	H(C[6a]C[5a,6a]C[6a])	121.2160	0.000	1	121.0144	0.295	39	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|C<2>,1|C<3>,1|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8547	0.276	3	121.0144	0.295	39	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<2>}	H(C[6a]C[5a,6a]C[6a])	120.6060	2.208	2	121.0144	0.295	39	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[5a,6a]C[6a])	121.2543	0.307	10	121.0144	0.295	39	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<4>}	H(C[6a]C[5a,6a]C[6a])	121.3320	0.000	1	121.0144	0.295	39	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8838	0.538	14	121.0144	0.295	39	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<2>}	H(C[6a]C[5a,6a]C[6a])	121.0163	0.276	3	121.0144	0.295	39	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[5a,6a]C[6a])	121.1310	0.158	2	121.0144	0.295	39	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0033	0.081	3	121.0144	0.295	39	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0760	0.000	1	121.3727	0.584	101	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3020	0.000	1	121.3727	0.584	101	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7498	0.137	12	121.3727	0.584	101	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5770	0.446	4	121.3727	0.584	101	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4994	0.584	11	121.3727	0.584	101	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.4090	0.000	1	121.3727	0.584	101	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.4840	0.000	1	121.3727	0.584	101	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3327	0.861	62	121.3727	0.584	101	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3560	0.138	3	121.3727	0.584	101	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7985	0.032	2	121.3727	0.584	101	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<3>,2|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1230	0.000	1	121.3727	0.584	101	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<3>,2|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.0800	1.622	2	121.3727	0.584	101	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.1192	0.334	4	120.4877	0.556	469	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4960	0.000	1	120.4877	0.556	469	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.1837	0.317	3	120.4877	0.556	469	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5046	0.128	8	120.4877	0.556	469	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4285	0.074	2	120.4877	0.556	469	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3893	0.064	7	120.4877	0.556	469	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3540	0.000	1	120.4877	0.556	469	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6621	0.724	8	120.4877	0.556	469	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.1835	0.163	2	120.4877	0.556	469	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|B<6>,1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6470	0.096	2	120.4877	0.556	469	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<2>,1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2810	0.000	1	120.4877	0.556	469	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4651	1.283	47	120.4877	0.556	469	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<6>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7620	0.000	1	120.4877	0.556	469	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5602	0.294	19	120.4877	0.556	469	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4938	0.614	64	120.4877	0.556	469	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|O<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7410	0.222	5	120.4877	0.556	469	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|P<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.5080	0.000	1	120.4877	0.556	469	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|P<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4485	0.641	2	120.4877	0.556	469	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|P<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6614	0.161	5	120.4877	0.556	469	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<1>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7700	0.011	2	120.4877	0.556	469	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6054	0.431	39	120.4877	0.556	469	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7200	0.291	9	120.4877	0.556	469	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8100	0.000	1	120.4877	0.556	469	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5281	0.802	179	120.4877	0.556	469	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|I<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4140	0.000	1	120.4877	0.556	469	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3655	0.083	4	120.4877	0.556	469	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2393	0.220	3	120.4877	0.556	469	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.6430	1.284	2	120.4877	0.556	469	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4530	0.193	4	120.4877	0.556	469	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2731	0.238	20	120.4877	0.556	469	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2851	0.645	11	120.4877	0.556	469	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|S<2>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4860	0.000	1	120.4877	0.556	469	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|S<2>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2893	0.223	3	120.4877	0.556	469	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|S<2>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.0830	0.000	1	120.4877	0.556	469	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5155	0.106	4	120.4877	0.556	469	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	116.4040	0.000	1	120.4877	0.556	469	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5530	0.000	1	120.4877	0.556	469	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8400	0.247	10	120.8400	0.061	10	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5980	0.000	1	121.7715	0.060	6	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.8517	0.031	3	121.7715	0.060	6	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.0900	0.000	1	121.7715	0.060	6	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,1|O<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3860	0.000	1	121.7715	0.060	6	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|H<1>,1|O<2>}	H(C[6a]C[5a,6a]C[6a])	121.8900	0.447	4	121.8900	0.200	4	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2600	0.000	1	121.0000	0.135	2	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,2|S<2>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7400	0.000	1	121.0000	0.135	2	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7177	0.460	6	121.8219	0.197	8	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.9630	0.000	1	121.8219	0.197	8	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6a]C[5a,6a]C[6a])	122.3060	0.000	1	121.8219	0.197	8	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7668	1.710	5	121.4141	1.744	11	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,1|S<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.8800	0.000	1	121.4141	1.744	11	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.1100	0.171	2	121.4141	1.744	11	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	122.4030	0.000	1	121.4141	1.744	11	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.4380	0.000	1	121.4141	1.744	11	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7800	0.000	1	121.4141	1.744	11	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	123.9350	0.000	1	123.9350	0.000	1	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]O[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[5a])(H){1|H<1>,1|O<2>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]O[5a]){1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[5a,6a]C[6a])	122.0470	0.000	1	122.0470	0.000	1	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[5a])(H){1|N<2>,1|N<3>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[5a,6a]C[6a])	122.0905	1.064	2	122.0905	1.133	2	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6])(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7840	0.000	1	120.7840	0.000	1	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(H){1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|O<1>,2|C<3>,2|N<3>}	H(C[6a]C[5a,6a]C[6a])	121.1730	0.113	2	121.1730	0.013	2	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<3>}	H(C[6a]C[5a,6a]C[6a])	121.7650	0.000	1	121.4557	0.147	6	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	122.0060	0.000	1	121.4557	0.147	6	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2407	0.226	4	121.4557	0.147	6	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){2|C<3>,2|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6a]C[5a,6a]C[6a])	121.6845	0.332	2	121.6845	0.110	2	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	H(C[6a]C[5a,6a]C[6a])	120.8457	0.444	3	120.8457	0.197	3	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]S)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]S)(H){1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,1|S<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	118.7640	0.000	1	118.7640	0.000	1	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<4>,1|O<1>,1|S<4>,2|N<3>}	H(C[6a]C[5a,6a]C[6a])	121.2770	0.000	1	121.2770	0.000	1	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H){1|C<3>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>}	H(C[6a]C[5a,6a]C[6a])	121.8640	0.000	1	121.8640	0.000	1	120.9946	0.664	2083	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[5,6a]H)(H)	C[5a,6a](C[5a,6a]C[5,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[5,6a]H)(H){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3320	0.000	1	121.3320	0.000	1	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[5a,6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[5a,6a]C)(H){4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|O<2>,1|S<2>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.1820	0.000	1	120.1820	0.000	1	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[5a,6a]C[6a])(H){1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<4>,1|S<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7730	0.000	1	120.7730	0.000	1	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[5a,6a]H)(H){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9540	0.000	1	120.9540	0.000	1	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6,6a]H)(H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.3230	0.000	1	121.8710	0.409	2	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6,6a]H)(H){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.4190	0.000	1	121.8710	0.409	2	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]Br)(H){4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.6510	0.000	1	121.8773	0.040	3	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]Br)(H){4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Br<1>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.9490	0.000	1	121.8773	0.040	3	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]Br)(H){4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Br<1>,2|C<3>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	122.0320	0.000	1	121.8773	0.040	3	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.6155	0.012	2	121.6460	0.313	44	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<4>,1|H<1>,1|S<3>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.7662	0.080	4	121.6460	0.313	44	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.7586	0.097	8	121.6460	0.313	44	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.2470	2.389	2	121.6460	0.313	44	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7200	0.000	1	121.6460	0.313	44	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.8410	0.000	1	121.6460	0.313	44	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.7292	0.117	5	121.6460	0.313	44	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,1|S<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.8155	0.067	4	121.6460	0.313	44	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,1|S<3>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.8271	0.183	8	121.6460	0.313	44	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.6120	0.000	1	121.6460	0.313	44	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.7272	0.216	4	121.6460	0.313	44	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2390	0.821	4	121.6460	0.313	44	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]S)(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a,6a]S)(H){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|S<4>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.9650	0.083	2	121.9650	0.007	2	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]Br)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Br<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	122.4320	0.000	1	122.4320	0.000	1	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H){1|Br<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|S<3>,3|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.2136	0.173	5	121.3990	0.067	29	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|H<1>,1|S<3>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.1320	0.000	1	121.3990	0.067	29	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.9150	0.000	1	121.3990	0.067	29	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|S<3>,3|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.6190	0.050	4	121.3990	0.067	29	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2673	0.212	3	121.3990	0.067	29	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H){1|Cl<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|S<3>,3|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.2683	0.172	3	121.3990	0.067	29	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|H<1>,3|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.5980	0.000	1	121.3990	0.067	29	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|S<3>,3|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.6880	0.100	7	121.3990	0.067	29	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1515	0.022	2	121.3990	0.067	29	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.3285	0.056	2	121.3990	0.067	29	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H){1|Cl<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3250	0.000	1	121.5187	0.111	3	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.6155	0.407	2	121.5187	0.111	3	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]C)(H){1|B<3>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0097	0.076	4	121.0097	0.006	4	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]Cl)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Cl<1>,1|H<1>,1|P<4>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	122.6455	0.053	2	122.6455	0.003	2	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Cl<1>,1|C<3>,1|H<1>,1|S<2>}	H(C[6a]C[5a,6a]C[6a])	122.7150	0.000	1	122.7150	0.000	1	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]F)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]N[5a]){1|C<3>,1|C<4>,1|F<1>,1|H<1>}	H(C[6a]C[5a,6a]C[6a])	123.7067	1.282	6	123.7067	1.643	6	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]F)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|F<1>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	123.1130	0.000	1	123.1130	0.000	1	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|Br<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.8700	0.130	2	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|Br<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6980	0.170	14	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|Br<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7230	0.131	4	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|Br<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5856	0.199	7	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|Br<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.8336	0.335	5	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|Br<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|S<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6955	0.194	10	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|Br<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7993	0.189	4	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.8360	0.000	1	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7230	0.000	1	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7288	0.247	8	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.9276	0.138	21	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.8980	0.228	32	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.8483	0.107	3	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.9550	0.000	1	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.8470	0.000	1	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7470	0.000	1	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.8900	0.000	1	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|S<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.9241	0.158	10	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|S<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.0310	0.318	2	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.9190	0.000	1	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|Cl<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7118	0.139	9	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|Cl<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7660	0.138	8	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|Cl<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|S<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7644	0.137	9	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|F<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.8857	0.162	3	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|F<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7442	0.148	5	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|F<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6792	0.199	6	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|F<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|S<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.8291	0.193	11	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|B<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.3610	0.000	1	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Br<1>,1|C<3>,1|S<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.4210	0.000	1	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.0435	0.054	2	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.2853	0.250	3	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.0526	0.195	7	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.8083	0.215	4	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.9390	0.068	2	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.9315	0.360	13	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.8510	0.000	1	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|S<2>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.3980	0.000	1	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.9981	0.121	7	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.8647	0.349	13	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.9110	0.000	1	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Co<4>,1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5470	0.000	1	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.6580	0.000	1	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Ir<8>,1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.0660	0.117	2	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|N<1>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2920	0.849	4	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7190	0.000	1	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.9879	0.278	7	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.5340	0.000	1	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|P<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.9730	0.000	1	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|P<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.1333	0.289	3	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|S<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.2680	0.000	1	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Si<4>,1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7930	0.057	2	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Sn<4>,1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.8888	0.233	4	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.9339	0.257	58	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	122.1376	0.391	18	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|I<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7147	0.164	10	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|I<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6790	0.069	2	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|I<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7850	0.000	1	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|I<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|S<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.8090	0.071	8	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|I<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|S<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.8960	0.052	2	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7450	0.000	1	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5720	0.122	2	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2590	0.000	1	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6250	0.000	1	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.0250	3.199	4	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5220	0.000	1	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7953	0.072	3	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.7530	0.000	1	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5970	0.000	1	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6607	0.104	3	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	122.0030	0.191	2	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.8010	0.000	1	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.9109	0.133	9	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7087	0.142	4	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7762	0.226	15	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|S<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7980	0.123	2	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.9050	0.122	2	121.8437	0.178	416	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.3095	0.246	4	122.1953	0.068	6	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]N[5a]){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.9670	0.062	2	122.1953	0.068	6	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]B[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|B<3>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3480	0.000	1	121.2115	0.151	4	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]B[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|B<3>,1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6340	0.000	1	121.2115	0.151	4	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]B[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4320	0.058	2	121.2115	0.151	4	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.0640	0.000	1	122.2152	0.215	158	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.0950	0.000	1	122.2152	0.215	158	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.2570	0.195	5	122.2152	0.215	158	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.9570	0.176	4	122.2152	0.215	158	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.2075	0.056	4	122.2152	0.215	158	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.0350	0.000	1	122.2152	0.215	158	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.9830	0.000	1	122.2152	0.215	158	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.9522	0.070	5	122.2152	0.215	158	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7367	0.361	3	122.2152	0.215	158	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|O<1>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6800	0.279	2	122.2152	0.215	158	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6a]C[5a,6a]C[6a])	122.3390	0.000	1	122.2152	0.215	158	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.1956	0.276	10	122.2152	0.215	158	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|H<1>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	122.6500	0.039	3	122.2152	0.215	158	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.7548	0.340	6	122.2152	0.215	158	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.5551	0.399	11	122.2152	0.215	158	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	122.3305	0.114	2	122.2152	0.215	158	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.2749	0.439	60	122.2152	0.215	158	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.9864	0.191	5	122.2152	0.215	158	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	122.1850	0.000	1	122.2152	0.215	158	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|O<1>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.9730	0.000	1	122.2152	0.215	158	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6a]C[5a,6a]C[6a])	122.2320	0.000	1	122.2152	0.215	158	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Ni<6>,1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7760	0.000	1	122.2152	0.215	158	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.1882	0.669	17	122.2152	0.215	158	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Si<4>,1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.0018	0.155	8	122.2152	0.215	158	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Si<5>,1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.0315	0.050	2	122.2152	0.215	158	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Si<6>,1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.0350	0.000	1	122.2152	0.215	158	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|O<1>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.1160	0.000	1	122.2152	0.215	158	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5438	0.118	4	121.7079	0.411	224	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|B<3>,1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7791	0.249	9	121.7079	0.411	224	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|B<4>,1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.8265	0.167	6	121.7079	0.411	224	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|Br<1>,1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.9880	0.000	1	121.7079	0.411	224	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|C<2>,1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4550	1.567	2	121.7079	0.411	224	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.9309	0.098	10	121.7079	0.411	224	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.8140	0.150	2	121.7079	0.411	224	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.9156	0.135	7	121.7079	0.411	224	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|C<3>,1|N<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.2202	0.558	4	121.7079	0.411	224	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|C<3>,1|O<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.2398	1.023	5	121.7079	0.411	224	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|C<3>,1|P<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.3815	0.114	2	121.7079	0.411	224	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|Cl<1>,1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4960	0.000	1	121.7079	0.411	224	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|Co<5>,1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.8303	0.042	4	121.7079	0.411	224	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|Ir<5>,1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5652	0.251	4	121.7079	0.411	224	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|Ni<4>,1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.0290	1.150	4	121.7079	0.411	224	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|Os<5>,1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5225	0.073	2	121.7079	0.411	224	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|Os<6>,1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.0029	0.278	15	121.7079	0.411	224	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|Os<7>,1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.8145	0.077	2	121.7079	0.411	224	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|Pd<5>,1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7650	0.041	2	121.7079	0.411	224	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|Pt<4>,1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7931	0.178	14	121.7079	0.411	224	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|Rh<5>,1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.8370	0.223	9	121.7079	0.411	224	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|Ru<6>,1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.9093	0.230	8	121.7079	0.411	224	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|Ru<8>,1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7973	0.320	3	121.7079	0.411	224	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|Si<3>,1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.0130	0.165	2	121.7079	0.411	224	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.9287	0.311	38	121.7079	0.411	224	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|B<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2563	0.036	3	121.7079	0.411	224	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|B<4>,1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8815	0.551	2	121.7079	0.411	224	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8808	0.752	10	121.7079	0.411	224	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|C<3>,2|H<1>,2|O<2>}	H(C[6a]C[5a,6a]C[6a])	121.4880	0.139	2	121.7079	0.411	224	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|Cl<1>,1|C<3>,1|N<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2825	3.036	2	121.7079	0.411	224	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|Cl<1>,1|C<3>,1|P<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4140	1.782	10	121.7079	0.411	224	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2153	0.204	15	121.7079	0.411	224	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2326	0.146	14	121.7079	0.411	224	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|Pd<5>,1|C<3>,1|N<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.6530	0.236	2	121.7079	0.411	224	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<5>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|Fe<9>,1|C<3>,2|H<1>,2|H<2>}	H(C[6a]C[5a,6a]C[6a])	121.3050	0.434	2	121.7079	0.411	224	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|B<5>,1|C<3>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|Os<7>,1|C<3>,2|H<1>,2|H<2>}	H(C[6a]C[5a,6a]C[6a])	121.4230	0.079	2	121.7079	0.411	224	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.3470	0.000	1	122.3470	0.000	1	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]I[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]I[5])(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|I<3>,1|O<1>}	H(C[6a]C[5a,6a]C[6a])	122.3210	0.000	1	122.3210	0.000	1	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]N)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,2|C<3>,2|N<3>}	H(C[6a]C[5a,6a]C[6a])	122.7600	0.045	2	121.8752	1.047	4	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]N)(H){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9905	0.084	2	121.8752	1.047	4	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6a]C[5a,6a]C[6a])	123.1730	0.184	3	122.7600	0.705	4	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.5210	0.000	1	122.7600	0.705	4	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]N[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]N[5])(H){1|H<1>,2|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	122.6110	0.000	1	122.6110	0.000	1	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.1185	0.120	2	122.0249	0.130	17	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,1|O<2>,1|P<4>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	122.2835	0.175	2	122.0249	0.130	17	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,2|C<3>,2|O<2>}	H(C[6a]C[5a,6a]C[6a])	122.3127	0.146	3	122.0249	0.130	17	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|O<2>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	122.1785	0.053	2	122.0249	0.130	17	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|O<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	122.6630	0.000	1	122.0249	0.130	17	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.6980	0.000	1	122.0249	0.130	17	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.8243	0.060	3	122.0249	0.130	17	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H){4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4490	0.222	2	122.0249	0.130	17	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H){4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5930	0.000	1	122.0249	0.130	17	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Br<1>,1|O<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	123.4150	0.000	1	122.9991	0.829	7	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6a]C[5a,6a]C[6a])	122.3580	0.000	1	122.9991	0.829	7	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	123.9920	1.162	2	122.9991	0.829	7	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.5300	0.000	1	122.9991	0.829	7	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	122.3535	0.125	2	122.9991	0.829	7	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]O)(H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(C[6a]C[5a,6a]C[6a])	121.9893	0.135	3	121.9893	0.018	3	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]H)(H){3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|N<2>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.3950	0.000	1	122.3950	0.000	1	121.8768	0.336	949	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5,6a]C)(H)	C[5a,6a](C[5a,6a]C[5,6a]N[5a])(C[6a]C[6a]H)(S[5a]S[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5,6a]C)(H){1|C<3>,1|S<2>,2|N<2>}	C[5a,6a](C[5a,6a]C[5,6a]N[5a])(C[6a]C[6a]H)(S[5a]S[5a]){1|C<3>,1|C<4>,1|S<2>}	H(C[6a]C[5a,6a]C[6a])	119.3650	0.000	1	119.3650	0.000	1	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5,6a]H)(H)	C[5a,6a](C[5a,6a]C[5,6a]S[5a])(C[6a]C[6a]H)(S[5a]B[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5,6a]H)(H){1|B<3>,1|C<3>,1|S<2>,1|S<3>}	C[5a,6a](C[5a,6a]C[5,6a]S[5a])(C[6a]C[6a]H)(S[5a]B[5a]){1|Br<1>,1|C<3>,1|H<1>,1|S<2>}	H(C[6a]C[5a,6a]C[6a])	120.4030	0.000	1	120.4030	0.000	1	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5a,6a]H)(H){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.0990	0.181	2	121.0208	14.798	13	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5a,6a]H)(H){1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6640	0.000	1	121.0208	14.798	13	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5a,6a]H)(H){1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6290	0.711	3	121.0208	14.798	13	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5a,6a]H)(H){1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|P<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3945	0.122	2	121.0208	14.798	13	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[5a,6a]H)(H){1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.9466	6.503	5	121.0208	14.798	13	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9520	0.000	1	120.7834	0.019	5	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8400	0.000	1	120.7834	0.019	5	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7083	0.116	3	120.7834	0.019	5	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]H)(H){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1975	0.153	2	121.1975	0.024	2	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Br<1>,1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[5a,6a]C[6a])	121.4357	0.323	4	121.5240	0.075	8	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Br<1>,1|C<3>,1|H<1>,1|S<2>}	H(C[6a]C[5a,6a]C[6a])	121.2940	0.000	1	121.5240	0.075	8	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Br<1>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.7183	0.075	3	121.5240	0.075	8	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.2950	0.000	1	120.6088	0.141	4	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Cl<1>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9255	0.145	2	120.6088	0.141	4	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(H){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|I<1>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2890	0.000	1	120.6088	0.141	4	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[6a]C[5a,6a]C[6a])	119.7500	0.000	1	120.2633	0.785	21	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6a]C[5a,6a]C[6a])	120.4260	0.123	8	120.2633	0.785	21	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6568	0.203	4	120.2633	0.785	21	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8310	0.000	1	120.2633	0.785	21	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	116.5740	0.000	1	120.2633	0.785	21	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.3900	0.263	6	120.2633	0.785	21	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]As[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(H){1|As<3>,1|C<3>,1|H<1>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]As[5a]){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.4617	0.110	3	119.4617	0.012	3	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]C)(H){2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|N<3>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.4500	0.000	1	121.4500	0.000	1	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>}	H(C[6a]C[5a,6a]C[6a])	121.5875	0.308	2	121.5942	0.037	10	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[5a,6a]C[6a])	121.5680	0.181	7	121.5942	0.037	10	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Cl<1>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.7910	0.000	1	121.5942	0.037	10	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]F)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|F<1>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.7225	0.097	2	121.7225	0.009	2	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]F)(H){1|Cl<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|F<1>,1|H<1>,1|N<3>}	H(C[6a]C[5a,6a]C[6a])	124.5490	0.000	1	122.2017	0.658	11	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]F)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|F<1>,1|H<1>,1|N<3>}	H(C[6a]C[5a,6a]C[6a])	121.9138	0.186	8	122.2017	0.658	11	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]F)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|F<1>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	122.1800	0.409	2	122.2017	0.658	11	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|Br<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4660	0.000	1	120.8304	0.109	216	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8170	0.351	7	120.8304	0.109	216	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|Cl<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4840	0.000	1	120.8304	0.109	216	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|Cl<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4970	0.000	2	120.8304	0.109	216	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|F<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6910	0.000	1	120.8304	0.109	216	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4830	0.000	1	120.8304	0.109	216	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|B<4>,1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4423	0.189	4	120.8304	0.109	216	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9363	0.289	3	120.8304	0.109	216	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<2>,1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9720	0.000	1	120.8304	0.109	216	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9520	0.308	3	120.8304	0.109	216	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9401	0.280	11	120.8304	0.109	216	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7100	0.000	1	120.8304	0.109	216	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8952	0.283	30	120.8304	0.109	216	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0920	0.000	1	120.8304	0.109	216	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|P<3>,1|P<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8840	0.000	1	120.8304	0.109	216	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|P<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1570	0.000	1	120.8304	0.109	216	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|S<2>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1640	0.000	1	120.8304	0.109	216	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,2|C<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0070	0.000	1	120.8304	0.109	216	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,2|H<1>,2|S<4>}	H(C[6a]C[5a,6a]C[6a])	121.3130	0.000	1	120.8304	0.109	216	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6663	0.404	35	120.8304	0.109	216	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Cl<1>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5117	0.695	3	120.8304	0.109	216	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Ir<6>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6416	0.334	13	120.8304	0.109	216	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Ir<7>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6087	0.409	3	120.8304	0.109	216	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6847	0.083	8	120.8304	0.109	216	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8660	0.043	3	120.8304	0.109	216	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0313	0.104	7	120.8304	0.109	216	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|P<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9232	0.262	4	120.8304	0.109	216	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Pd<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7225	0.268	6	120.8304	0.109	216	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Pt<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7380	0.000	1	120.8304	0.109	216	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Pt<6>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9575	0.012	2	120.8304	0.109	216	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Sn<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7115	0.233	2	120.8304	0.109	216	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9482	0.294	39	120.8304	0.109	216	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8426	0.198	16	120.8304	0.109	216	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<2>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	H(C[6a]C[5a,6a]C[6a])	120.7040	0.000	1	120.8304	0.109	216	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0060	0.000	1	120.8304	0.109	216	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]N[5a]){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4100	0.559	2	121.2093	0.083	23	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]N[5a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2458	0.221	10	121.2093	0.083	23	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]N[5a]){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3485	0.093	2	121.2093	0.083	23	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]N[5a]){1|C<3>,1|O<1>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3615	0.016	2	121.2093	0.083	23	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]N[5a]){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0167	0.324	7	121.2093	0.083	23	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]As[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|As<2>,1|C<3>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]As[5a]){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.7610	0.000	1	119.7610	0.000	1	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7600	0.287	5	120.9013	0.450	434	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|B<6>,1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1050	0.072	2	120.9013	0.450	434	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<2>,1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8210	0.000	1	120.9013	0.450	434	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6a]C[5a,6a]C[6a])	121.2783	0.450	9	120.9013	0.450	434	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7284	1.089	46	120.9013	0.450	434	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<6>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1980	0.000	1	120.9013	0.450	434	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	H(C[6a]C[5a,6a]C[6a])	120.5121	1.051	16	120.9013	0.450	434	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|H<1>,2|N<3>}	H(C[6a]C[5a,6a]C[6a])	120.4490	0.000	1	120.9013	0.450	434	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7514	0.690	19	120.9013	0.450	434	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8748	0.614	67	120.9013	0.450	434	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|O<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1518	0.174	5	120.9013	0.450	434	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|P<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4360	0.000	1	120.9013	0.450	434	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|P<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4085	0.887	2	120.9013	0.450	434	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|P<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9395	0.253	6	120.9013	0.450	434	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|S<1>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9470	0.093	2	120.9013	0.450	434	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0399	0.338	38	120.9013	0.450	434	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|S<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2238	0.148	10	120.9013	0.450	434	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0290	0.000	1	120.9013	0.450	434	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2360	0.000	1	120.9013	0.450	434	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[5a,6a]C[6a])	121.0267	0.169	3	120.9013	0.450	434	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0755	0.043	2	120.9013	0.450	434	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9389	0.643	178	120.9013	0.450	434	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8763	0.097	6	120.9013	0.450	434	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|O<1>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6940	0.136	2	120.9013	0.450	434	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6a]C[5a,6a]C[6a])	121.0080	0.000	1	120.9013	0.450	434	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|Fe<4>,1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6103	0.151	3	120.9013	0.450	434	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6000	0.000	1	120.9013	0.450	434	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|H<1>,1|I<1>,1|N<3>}	H(C[6a]C[5a,6a]C[6a])	120.9240	0.557	2	120.9013	0.450	434	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9127	0.371	3	120.9013	0.450	434	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){2|C<3>,2|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7783	0.063	3	120.7783	0.004	3	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]As[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|As<3>,1|C<3>,1|C<4>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]As[5a]){1|Cl<1>,1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.8843	0.064	3	119.8843	0.004	3	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]B[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]B[5a]){1|B<3>,1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4172	0.114	4	120.3378	0.041	5	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]B[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|H<1>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]B[5a]){1|Br<1>,1|C<3>,1|H<1>,1|S<3>}	H(C[6a]C[5a,6a]C[6a])	120.0200	0.000	1	120.3378	0.041	5	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<2>,1|C<3>,1|H<1>,1|O<1>}	H(C[6a]C[5a,6a]C[6a])	120.5920	0.000	1	120.5920	0.000	1	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7370	0.054	3	121.6247	0.027	7	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.6830	0.035	2	121.6247	0.027	7	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(H){2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[5a,6a]C[6a])	121.3980	0.072	2	121.6247	0.027	7	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]I)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]I)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|I<1>}	H(C[6a]C[5a,6a]C[6a])	121.1570	0.000	1	121.1570	0.000	1	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]N)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.5863	0.187	4	121.5863	0.035	4	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|H<1>,2|N<3>}	H(C[6a]C[5a,6a]C[6a])	121.7330	0.112	4	121.2058	1.165	6	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2590	0.000	1	121.2058	1.165	6	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]N)(H){1|N<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.0440	0.000	1	121.2058	1.165	6	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]N[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]N[6a])(H){1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|O<1>,2|C<3>,2|N<3>}	H(C[6a]C[5a,6a]C[6a])	120.6490	0.000	1	120.6490	0.000	1	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]N[6a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]N[6a])(H){1|H<1>,1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4680	0.195	2	121.4680	0.038	2	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.8490	0.000	1	121.1448	0.189	5	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9650	0.000	1	121.1448	0.189	5	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0780	0.000	1	121.1448	0.189	5	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|H<1>,2|C<3>,2|O<2>}	H(C[6a]C[5a,6a]C[6a])	121.1610	0.000	1	121.1448	0.189	5	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<2>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	H(C[6a]C[5a,6a]C[6a])	120.6710	0.000	1	121.1448	0.189	5	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6a]C[5a,6a]C[6a])	120.2480	0.481	2	121.2131	0.177	35	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	H(C[6a]C[5a,6a]C[6a])	121.2075	0.199	4	121.2131	0.177	35	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	H(C[6a]C[5a,6a]C[6a])	121.3688	0.301	19	121.2131	0.177	35	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1125	0.425	10	121.2131	0.177	35	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H){1|O<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.9950	0.632	2	121.6488	2.861	4	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O)(H){1|O<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|H<1>,1|O<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3025	2.775	2	121.6488	2.861	4	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]O[6a])(H){5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(S[5a]C[5a]){1|O<1>,2|C<3>,2|O<2>}	H(C[6a]C[5a,6a]C[6a])	120.8730	0.000	1	120.8730	0.000	1	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]S)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]S)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|H<1>,1|N<2>,1|S<4>}	H(C[6a]C[5a,6a]C[6a])	121.5810	0.000	1	121.2142	0.090	5	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]S)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]S)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>,1|S<4>}	H(C[6a]C[5a,6a]C[6a])	121.2357	0.141	3	121.2142	0.090	5	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]S)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]S)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|H<1>,1|S<4>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7830	0.000	1	121.2142	0.090	5	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]S)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]S)(H){2|C<3>,2|S<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(S[5a]C[5a]){1|C<3>,1|H<1>,1|O<1>,1|S<2>}	H(C[6a]C[5a,6a]C[6a])	120.2174	0.397	12	120.2174	0.158	12	120.9158	0.611	851	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6550	0.000	1	120.6550	0.000	1	120.6550	0.000	1	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[5,6a]C)(H)	C[5a,6a](N[5a,6a]C[5,6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[5,6a]C)(H){1|C<3>,1|C<4>,2|N<2>}	C[5a,6a](N[5a,6a]C[5,6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	119.9670	0.000	1	119.9670	0.000	1	120.1608	1.669	177	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[5a]C[6a])(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[5a]C[6a])(H){1|H<1>,1|O<2>,2|C<3>,2|N<2>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5585	0.001	2	120.5585	0.000	2	120.1608	1.669	177	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[5a]C[6a])(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[5a]C[6a])(H){1|H<1>,2|C<3>,3|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5080	0.000	1	120.5080	0.000	1	120.1608	1.669	177	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]C)(H)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]C)(H){2|C<3>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<4>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.9180	0.000	1	120.2333	0.082	3	120.1608	1.669	177	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]C)(H)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]C)(H){2|C<3>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.3910	0.122	2	120.2333	0.082	3	120.1608	1.669	177	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	116.9555	4.142	4	117.1497	8.246	8	120.1608	1.669	177	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	117.3440	1.408	4	117.1497	8.246	8	120.1608	1.669	177	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5337	0.153	3	120.5896	0.019	5	120.1608	1.669	177	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6735	0.077	2	120.5896	0.019	5	120.1608	1.669	177	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.9660	0.000	1	119.7338	0.050	5	120.1608	1.669	177	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.7570	0.000	1	119.7338	0.050	5	120.1608	1.669	177	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.3600	0.000	1	119.7338	0.050	5	120.1608	1.669	177	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.8120	0.000	1	119.7338	0.050	5	120.1608	1.669	177	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	119.7740	0.000	1	119.7338	0.050	5	120.1608	1.669	177	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|Cl<1>,1|C<3>,2|N<2>}	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	114.9210	0.000	1	114.9210	0.000	1	120.1608	1.669	177	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.8280	0.000	1	119.8280	0.000	1	120.1608	1.669	177	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.5800	0.000	1	120.1036	0.759	107	120.1608	1.669	177	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.8407	0.099	3	120.1036	0.759	107	120.1608	1.669	177	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.2233	2.407	3	120.1036	0.759	107	120.1608	1.669	177	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3130	0.102	2	120.1036	0.759	107	120.1608	1.669	177	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.1840	0.000	1	120.1036	0.759	107	120.1608	1.669	177	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.8315	0.169	2	120.1036	0.759	107	120.1608	1.669	177	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.2970	0.000	1	120.1036	0.759	107	120.1608	1.669	177	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Br<1>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.0225	0.131	2	120.1036	0.759	107	120.1608	1.669	177	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<2>,1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7080	0.000	1	120.1036	0.759	107	120.1608	1.669	177	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.0820	0.359	2	120.1036	0.759	107	120.1608	1.669	177	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|S<3>,1|S<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4700	0.000	1	120.1036	0.759	107	120.1608	1.669	177	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2995	0.228	2	120.1036	0.759	107	120.1608	1.669	177	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.0940	0.153	2	120.1036	0.759	107	120.1608	1.669	177	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,1|I<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0228	0.438	4	120.1036	0.759	107	120.1608	1.669	177	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4870	0.000	1	120.1036	0.759	107	120.1608	1.669	177	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.4265	1.199	8	120.1036	0.759	107	120.1608	1.669	177	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|C<3>,1|P<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3590	0.000	1	120.1036	0.759	107	120.1608	1.669	177	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9170	0.000	1	120.1036	0.759	107	120.1608	1.669	177	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.2610	0.000	1	120.1036	0.759	107	120.1608	1.669	177	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	118.1180	1.889	3	120.1036	0.759	107	120.1608	1.669	177	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3917	0.229	11	120.1036	0.759	107	120.1608	1.669	177	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3767	0.188	6	120.1036	0.759	107	120.1608	1.669	177	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|S<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3580	0.099	2	120.1036	0.759	107	120.1608	1.669	177	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Se<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3633	0.446	7	120.1036	0.759	107	120.1608	1.669	177	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.7369	1.242	12	120.1036	0.759	107	120.1608	1.669	177	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4206	0.432	16	120.1036	0.759	107	120.1608	1.669	177	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|I<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2470	0.000	1	120.1036	0.759	107	120.1608	1.669	177	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.9390	0.000	1	120.1036	0.759	107	120.1608	1.669	177	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.0470	0.000	1	120.1036	0.759	107	120.1608	1.669	177	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.1220	0.206	2	120.1036	0.759	107	120.1608	1.669	177	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.1730	0.000	1	120.1036	0.759	107	120.1608	1.669	177	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2422	0.263	4	120.1036	0.759	107	120.1608	1.669	177	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4650	0.000	1	120.1036	0.759	107	120.1608	1.669	177	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6420	0.000	1	120.7359	0.081	7	120.1608	1.669	177	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3920	0.000	1	120.7359	0.081	7	120.1608	1.669	177	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6480	0.148	2	120.7359	0.081	7	120.1608	1.669	177	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9403	0.311	3	120.7359	0.081	7	120.1608	1.669	177	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8080	0.000	1	121.3958	1.348	4	120.1608	1.669	177	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.9705	1.650	2	121.3958	1.348	4	120.1608	1.669	177	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8340	0.000	1	121.3958	1.348	4	120.1608	1.669	177	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<3>,2|N<2>}	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	118.0170	0.000	1	121.0974	0.818	16	120.1608	1.669	177	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,3|N<2>}	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3238	0.398	14	121.0974	0.818	16	120.1608	1.669	177	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,2|N<2>}	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0090	0.000	1	121.0974	0.818	16	120.1608	1.669	177	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6150	0.000	1	120.7890	0.120	11	120.1608	1.669	177	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Br<1>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9115	0.226	4	120.7890	0.120	11	120.1608	1.669	177	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9170	0.116	4	120.7890	0.120	11	120.1608	1.669	177	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,1|I<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8790	0.000	1	120.7890	0.120	11	120.1608	1.669	177	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|I<1>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.8710	0.000	1	120.7890	0.120	11	120.1608	1.669	177	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]N[6a])(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]N[6a])(H){1|N<2>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<4>,1|N<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9910	0.000	1	120.9910	0.000	1	120.1608	1.669	177	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]H)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|H<1>,1|N<3>,1|O<1>}	H(C[6a]C[5a,6a]C[6a])	119.9310	0.000	1	120.6680	2.117	3	120.1608	1.669	177	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]H)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]H)(H){1|C<3>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|H<1>,1|N<2>,1|N<3>}	H(C[6a]C[5a,6a]C[6a])	122.3440	0.000	1	120.6680	2.117	3	120.1608	1.669	177	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]H)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]H)(H){1|C<3>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|H<1>,1|N<2>,1|S<2>}	H(C[6a]C[5a,6a]C[6a])	119.7290	0.000	1	120.6680	2.117	3	120.1608	1.669	177	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]O)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]O)(H){3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|N<2>,2|H<1>,2|O<2>}	H(C[6a]C[5a,6a]C[6a])	121.5510	0.000	1	121.5510	0.000	1	120.1608	1.669	177	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:N[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5a,6a]N[6a])	122.2040	0.000	1	120.8137	3.271	3	120.8137	3.271	3	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[5a,6a]-3:N[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a])	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(N[5a]C[5a]){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]N[6a])	120.1185	1.908	2	120.8137	3.271	3	120.8137	3.271	3	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[6,6,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6,6a]H)(N[5a]C[5a])	H(C[6a]C[6,6,6a]C[5a,6a])	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]N[5a])(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6,6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[6,6,6a]C[5a,6a])	121.9100	0.000	1	121.9100	0.000	1	121.3098	0.043	21	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:2:	3:	C[6,6,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6,6a]H)(N[5a]S[5a])	H(C[6a]C[6,6,6a]C[5a,6a])	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]N[5a])(H){1|C<4>,1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6,6a]H)(N[5a]S[5a]){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[6,6,6a]C[5a,6a])	121.2797	0.160	20	121.2797	0.026	20	121.3098	0.043	21	121.1738	0.883	4405	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H){7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,6|C<3>}	H(C[6a]C[5a,6a]C[5,6a])	120.8780	0.000	1	120.8780	0.000	1	120.9971	0.197	9	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H){1|C<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H){1|C<2>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[5,6a])	121.1605	0.052	2	121.0452	0.031	5	120.9971	0.197	9	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H){7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[5,6a])	120.9683	0.195	3	121.0452	0.031	5	120.9971	0.197	9	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H){1|Se<2>,1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[5,6a])	120.4705	0.073	2	120.4705	0.005	2	120.9971	0.197	9	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]N[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5,6a]N[5,6a]C[5])(C[5a,6a]C[5a,6a]2)(H){1|C<4>,1|O<1>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[6a]C[5a,6a]C[5,6a])	121.9290	0.000	1	121.9290	0.000	1	120.9971	0.197	9	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]C[5a,5a]C)(C[6a]C[5,6a]H)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(H){1|S<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]C[5a,5a]C)(C[6a]C[5,6a]H){1|H<1>,1|S<2>,3|C<3>}	H(C[6a]C[5a,6a]C[5,6a])	121.4980	0.000	1	121.4980	0.000	1	120.4495	1.122	4	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]C[5a,5a]C[6a])(C[6a]C[5,6a]H)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(H){7|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]C[5a,5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,1|S<2>,5|C<3>}	H(C[6a]C[5a,6a]C[5,6a])	119.6185	0.713	2	119.6185	0.509	2	120.4495	1.122	4	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[5,6a]H)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5,6a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[5a])(H){7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[5,6a]H){1|H<1>,6|C<3>}	H(C[6a]C[5a,6a]C[5,6a])	121.0630	0.000	1	121.0630	0.000	1	120.4495	1.122	4	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5,6a]C[5,5a]C[5,6a])(H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5,6a]C[5,5a]C[5,6a])(H){2|S<2>,5|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,1|N<2>,4|C<3>}	H(C[6a]C[5a,6a]C[5,6a])	121.9370	0.000	1	121.9370	0.000	1	120.0240	3.758	6	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5,6a]C[5,6a]C[5])(H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5,6a]C[5,6a]C[5])(H){7|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,1|S<2>,5|C<3>}	H(C[6a]C[5a,6a]C[5,6a])	118.5110	0.000	1	118.5110	0.000	1	120.0240	3.758	6	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5,6a]C[5,6a]C[5])(H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5,6a]C[5,6a]C[5])(H){1|S<2>,6|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[5,6a])	119.9240	2.066	4	119.9240	4.267	4	120.0240	3.758	6	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(H){1|C<4>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H){1|C<4>,1|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[5,6a])	120.7180	0.000	1	120.7180	0.000	1	120.7180	0.000	1	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[5,6a]H)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(H){1|C<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[5,6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[5,6a])	120.8907	0.445	3	120.8907	0.198	3	121.4673	0.453	16	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]C[5,6a]H)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(H){7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]C[5,6a]H){1|H<1>,1|O<2>,5|C<3>}	H(C[6a]C[5a,6a]C[5,6a])	120.6860	0.000	1	120.6860	0.000	1	121.4673	0.453	16	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[5,6a]H)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]2)(H){7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[5,6a]H){1|H<1>,6|C<3>}	H(C[6a]C[5a,6a]C[5,6a])	120.8630	0.000	1	120.8630	0.000	1	121.4673	0.453	16	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5,5])(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[5,6a]H)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5,5])(H){1|C<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[5,6a]H){1|C<2>,1|H<1>,1|S<2>,4|C<3>}	H(C[6a]C[5a,6a]C[5,6a])	121.2100	0.000	2	121.0835	0.021	4	121.4673	0.453	16	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5,5])(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[5,6a]H)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5,5])(H){7|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,1|S<4>,5|C<3>}	H(C[6a]C[5a,6a]C[5,6a])	120.9570	0.007	2	121.0835	0.021	4	121.4673	0.453	16	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]C[5a,5a]N)(C[6a]C[5,6a]H)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(H){2|N<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]C[5a,5a]N)(C[6a]C[5,6a]H){1|H<1>,1|S<2>,3|C<3>}	H(C[6a]C[5a,6a]C[5,6a])	121.7450	0.000	1	121.7450	0.000	1	121.4673	0.453	16	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5,6a]H)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5,6a]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[5a,6a]C[5,6a])	122.6250	0.000	1	122.2420	0.247	3	121.4673	0.453	16	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5,6a]H)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,1|O<2>,4|C<3>}	H(C[6a]C[5a,6a]C[5,6a])	122.4210	0.000	1	122.2420	0.247	3	121.4673	0.453	16	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5,6a]H)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H){1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5,6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[6a]C[5a,6a]C[5,6a])	121.6800	0.000	1	122.2420	0.247	3	121.4673	0.453	16	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[5,6a]H)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[5,6a]H){1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[5a,6a]C[5,6a])	122.2190	0.000	1	122.2190	0.000	1	121.4673	0.453	16	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[5,6a]H)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[5,6a]H){1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[5a,6a]C[5,6a])	122.1155	0.022	2	122.1155	0.000	2	121.4673	0.453	16	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5,6])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]H)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5,6])(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[5,6a])	120.6450	0.000	1	120.6450	0.000	1	122.1966	0.863	16	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]H)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])(H){1|S<2>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]H){1|C<3>,1|H<1>,2|C<4>}	H(C[6a]C[5a,6a]C[5,6a])	120.3450	0.113	2	120.3450	0.013	2	122.1966	0.863	16	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]N[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]C)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]N[5])(H){1|C<4>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6a]C[5a,6a]C[5,6a])	121.5710	0.000	1	121.5710	0.000	1	122.1966	0.863	16	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]C)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]C){1|C<3>,1|O<2>,1|S<4>,2|H<1>}	H(C[6a]C[5a,6a]C[5,6a])	122.2750	0.000	1	122.2750	0.000	1	122.1966	0.863	16	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]N)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|N<3>,2|C<3>,2|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]N){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6a]C[5a,6a]C[5,6a])	122.5160	0.000	1	122.6510	0.036	2	122.1966	0.863	16	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]N)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|N<3>,2|C<3>,2|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]N){1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[5a,6a]C[5,6a])	122.7860	0.000	1	122.6510	0.036	2	122.1966	0.863	16	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]O)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H){2|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]O){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(C[6a]C[5a,6a]C[5,6a])	122.6060	0.000	1	122.6060	0.000	1	122.1966	0.863	16	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]S)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|S<3>,2|C<3>,2|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]S){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6a]C[5a,6a]C[5,6a])	122.5700	0.000	1	122.7570	0.020	8	122.1966	0.863	16	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]S)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|S<3>,2|C<3>,2|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]S){1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[5a,6a]C[5,6a])	122.7643	0.132	6	122.7570	0.020	8	122.1966	0.863	16	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]S)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|S<4>,2|C<3>,2|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(C[5a]C[5a]S){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6a]C[5a,6a]C[5,6a])	122.9000	0.000	1	122.7570	0.020	8	122.1966	0.863	16	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(H){1|C<4>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(N[5a]C[5a]C){1|H<1>,1|O<1>,3|C<3>}	H(C[6a]C[5a,6a]C[5,6a])	121.7650	0.000	1	121.7650	0.000	1	122.9289	1.144	14	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(H){1|C<4>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[5,6a])	121.9000	0.000	1	121.9000	0.000	1	122.9289	1.144	14	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]N[5a]H)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(H){1|C<3>,1|H<1>,2|N<2>,4|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]N[5a]H){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[5a,6a]C[5,6a])	120.2260	0.000	1	120.2260	0.000	1	122.9289	1.144	14	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H){2|C<4>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[5,6a])	123.6847	0.202	3	123.3307	0.174	7	122.9289	1.144	14	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H){2|C<4>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]C){1|Fe<8>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6a]C[5a,6a]C[5,6a])	122.7470	0.000	1	123.3307	0.174	7	122.9289	1.144	14	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H){2|C<4>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]C){1|Pt<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6a]C[5a,6a]C[5,6a])	123.1713	0.290	3	123.3307	0.174	7	122.9289	1.144	14	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]N[5])(H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6a]C[5a,6a]C[5,6a])	123.0500	0.089	2	123.0500	0.008	2	122.9289	1.144	14	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(N[5a]C[5a]S)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|O<2>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6a]C[5a,6a]C[5,6a])	123.0600	0.000	1	123.0600	0.000	1	122.9289	1.144	14	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]O[5])(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5,6a]H)(N[5a]C[5a]H){1|Ir<8>,1|C<3>,1|H<1>,1|O<2>}	H(C[6a]C[5a,6a]C[5,6a])	124.6390	0.000	1	124.6390	0.000	1	122.9289	1.144	14	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[5,6a]H)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[5,6a]H){1|N<2>,2|C<3>,2|H<1>,2|O<2>}	H(C[6a]C[5a,6a]C[5,6a])	122.8890	0.000	1	122.8890	0.000	1	122.8890	0.000	1	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[5,6a]H)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]C[5])(H){8|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[5,6a]H){1|C<4>,1|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[5,6a])	121.5490	0.000	1	121.5490	0.000	1	121.6397	0.009	3	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]Se[5])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[5,6a]H)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]Se[5])(H){1|C<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[5,6a]H){1|Se<2>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[5,6a])	121.6850	0.074	2	121.6850	0.005	2	121.6397	0.009	3	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|O<2>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H){1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[5,6a])	122.3410	0.000	1	122.3410	0.000	1	122.6785	0.228	2	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5,6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5,6a]C[5,6a]O[5])(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)	H(C[6a]C[5a,6a]C[5,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5,6a]C[5,6a]O[5])(H){1|C<4>,1|O<2>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[5,6a])	123.0160	0.000	1	123.0160	0.000	1	122.6785	0.228	2	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5,5a]C[5,5a]S[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[5a,6a]C[5a,6a]S[5a])(H){2|S<2>,4|C<3>}	C[5a,6a](C[5,5a]C[5,5a]S[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|C<3>,1|C<4>,1|H<1>,2|S<2>}	H(C[6a]C[5a,6a]2)	121.6020	0.000	1	121.6020	0.000	1	121.2095	0.308	2	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|Si<4>,1|S<2>,4|C<3>}	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|H<1>,1|S<2>,2|C<4>,3|C<3>}	H(C[6a]C[5a,6a]2)	120.8170	0.000	1	120.8170	0.000	1	121.2095	0.308	2	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[5a])(H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[5a])(H){1|O<1>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|O<1>,4|C<3>}	H(C[6a]C[5a,6a]2)	121.8110	0.000	1	121.8110	0.000	1	120.3370	2.062	15	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[5a])(H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[5a])(H){1|H<1>,3|C<3>,3|S<2>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]2)	119.4973	1.930	6	119.4973	3.723	6	120.3370	2.062	15	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(H){1|C<4>,1|N<3>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5a,6a]2)	121.3270	0.000	1	121.3270	0.000	1	120.3370	2.062	15	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]S[5a])(H){2|S<2>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|H<1>,1|S<2>,3|C<3>}	H(C[6a]C[5a,6a]2)	120.7047	0.566	7	120.7047	0.320	7	120.3370	2.062	15	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[5a,6a]C[5a,6a]S[5a])(H){1|C<4>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|C<3>,1|C<4>,2|S<2>,3|H<1>}	H(C[6a]C[5a,6a]2)	121.0300	0.000	1	121.0300	0.000	1	120.9652	0.030	4	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[5a,6a]C[5a,6a]S[5a])(H){2|S<2>,4|C<3>}	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|C<3>,1|C<4>,1|H<1>,2|S<2>}	H(C[6a]C[5a,6a]2)	120.8910	0.262	2	120.9437	0.043	3	120.9652	0.030	4	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[5a,6a]C[5a,6a]S[5a])(H){2|S<2>,4|C<3>}	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	H(C[6a]C[5a,6a]2)	121.0490	0.000	1	120.9437	0.043	3	120.9652	0.030	4	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]2)2(H){2|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]2)	120.5040	0.000	1	120.5040	0.000	1	121.3963	0.583	34	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]2)2(H){1|N<3>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){1|S<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]2)	121.2010	0.000	1	121.1942	0.069	5	121.3963	0.583	34	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]2)2(H){1|N<3>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5a,6a]2)	121.2810	0.000	1	121.1942	0.069	5	121.3963	0.583	34	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]2)2(H){1|N<3>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){1|S<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]2)	120.7450	0.000	1	121.1942	0.069	5	121.3963	0.583	34	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]2)2(H){2|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]2)	121.3720	0.061	2	121.1942	0.069	5	121.3963	0.583	34	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]2)2(H){1|N<3>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]2)	121.2195	0.028	2	121.2195	0.001	2	121.3963	0.583	34	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]2)2(H){1|N<3>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]2)	120.7320	0.000	1	120.7320	0.000	1	121.3963	0.583	34	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]O[5a])(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]2)2(H){1|N<2>,2|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]O[5a])(C[6a]C[5a,6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]2)	121.8740	0.030	2	121.8740	0.001	2	121.3963	0.583	34	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<3>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){1|S<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]2)	120.4560	0.000	1	120.4560	0.000	1	121.3963	0.583	34	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H){1|C<4>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]2)	121.8263	0.098	3	121.7796	0.005	8	121.3963	0.583	34	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]2)	121.7690	0.030	2	121.7796	0.005	8	121.3963	0.583	34	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H){1|N<3>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){1|N<3>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]2)	121.7400	0.048	3	121.7796	0.005	8	121.3963	0.583	34	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H){1|O<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H){1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]2)	121.9040	0.051	2	121.9040	0.003	2	121.3963	0.583	34	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H){1|C<4>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]2)	121.0020	1.782	2	121.0020	3.175	2	121.3963	0.583	34	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5a,6a]C[5a,6a]2)(H){1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]2)	122.3110	0.000	1	122.3110	0.000	1	121.3963	0.583	34	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[5a,6a]C[5a,6a]2)(H){1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H){1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]2)	122.4640	0.000	1	122.4640	0.000	1	121.3963	0.583	34	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(H){1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]2)	122.4195	0.829	2	122.4195	0.688	2	121.3963	0.583	34	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(H){1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	H(C[6a]C[5a,6a]2)	120.2542	0.054	4	120.6603	0.579	6	121.3963	0.583	34	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]2)(H){1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H){1|S<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]2)	121.4725	0.952	2	120.6603	0.579	6	121.3963	0.583	34	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]C[5a,5a]O)(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[5a])(H){1|O<1>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]C[5a,5a]O)(C[6a]C[5a,6a]H){1|H<1>,1|S<2>,3|C<3>}	H(C[6a]C[5a,6a]2)	121.8060	0.000	1	121.8060	0.000	1	122.3751	0.260	14	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5a,6a]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[5a,6a]2)	122.4085	0.214	2	122.5706	0.138	11	122.3751	0.260	14	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	H(C[6a]C[5a,6a]2)	122.4047	0.050	3	122.5706	0.138	11	122.3751	0.260	14	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	H(C[6a]C[5a,6a]2)	123.1370	0.000	1	122.5706	0.138	11	122.3751	0.260	14	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,1|O<2>,4|C<3>}	H(C[6a]C[5a,6a]2)	122.6218	0.464	5	122.5706	0.138	11	122.3751	0.260	14	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[5a])(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[5a])(H){1|B<4>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[5a,6a]H){1|B<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	H(C[6a]C[5a,6a]2)	121.5845	0.039	2	121.5845	0.002	2	122.3751	0.260	14	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[5a])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[5a])(H){1|H<1>,3|C<3>,3|S<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]2)	120.2050	0.254	4	120.9843	4.807	6	122.3679	0.773	118	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[5a])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[5a])(H){1|H<1>,3|C<3>,3|S<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]2)	122.5430	4.069	2	120.9843	4.807	6	122.3679	0.773	118	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<3>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H){1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]2)	120.4320	0.000	1	120.4320	0.000	1	122.3679	0.773	118	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]S)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|O<2>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]S){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6a]C[5a,6a]2)	122.8270	0.000	1	122.8270	0.000	1	122.3679	0.773	118	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]C)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|C<4>,1|N<3>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]C){1|O<2>,2|C<3>}	H(C[6a]C[5a,6a]2)	123.2920	0.000	1	123.2920	0.000	1	122.3679	0.773	118	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H){1|B<6>,1|C<3>,1|H<1>,1|S<2>}	H(C[6a]C[5a,6a]2)	121.0422	0.166	4	121.1098	0.128	13	122.3679	0.773	118	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	H(C[6a]C[5a,6a]2)	120.5190	0.000	1	121.1098	0.128	13	122.3679	0.773	118	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H){1|C<3>,1|H<1>,2|S<2>}	H(C[6a]C[5a,6a]2)	121.2087	0.386	3	121.1098	0.128	13	122.3679	0.773	118	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H){1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5a,6a]2)	121.0480	0.167	4	121.1098	0.128	13	122.3679	0.773	118	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H){1|H<1>,1|S<2>,2|C<3>}	H(C[6a]C[5a,6a]2)	121.9220	0.000	1	121.1098	0.128	13	122.3679	0.773	118	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]S)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H){2|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]S){1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5a,6a]2)	121.0690	0.000	1	121.0690	0.000	1	122.3679	0.773	118	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]Se)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|Se<2>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]Se){1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5a,6a]2)	121.3560	0.000	1	121.3560	0.000	1	122.3679	0.773	118	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])2(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]O)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(H){2|N<3>,2|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6a]C[5a,6a]2)	122.7144	0.296	67	122.7055	0.079	75	122.3679	0.773	118	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])2(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]O)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(H){2|N<3>,2|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]O){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6a]C[5a,6a]2)	122.7280	0.055	2	122.7055	0.079	75	122.3679	0.773	118	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])2(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]O)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(H){2|N<3>,2|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]O){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]2)	122.5988	0.060	6	122.7055	0.079	75	122.3679	0.773	118	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])2(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]S)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(H){2|N<3>,2|S<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]S){1|C<4>,1|H<1>,1|S<1>,2|C<3>}	H(C[6a]C[5a,6a]2)	122.5860	0.071	2	122.5860	0.005	2	122.3679	0.773	118	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])2(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]O[5a]O)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(H){2|O<1>,2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(C[5a]O[5a]O){1|H<1>,1|O<1>,2|C<3>}	H(C[6a]C[5a,6a]2)	122.9102	0.176	12	122.9102	0.031	12	122.3679	0.773	118	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])2(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]S)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(H){2|O<2>,2|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]S){2|C<3>,2|C<4>}	H(C[6a]C[5a,6a]2)	121.9015	0.022	2	121.9015	0.000	2	122.3679	0.773	118	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])2(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(H){2|H<1>,2|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]H)(C[5a]C[5a]H){1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]2)	120.5875	0.339	2	120.5875	0.115	2	122.3679	0.773	118	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])2(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]C)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])2(H){2|C<4>,2|N<3>,3|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]H)(C[5a]N[5a]C){3|C<3>}	H(C[6a]C[5a,6a]2)	122.1220	0.000	1	122.1220	0.000	1	122.3679	0.773	118	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,5a]C)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(H){1|C<4>,1|N<3>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,5a]C){1|H<1>,1|S<2>,3|C<3>}	H(C[6a]C[5a,6a]2)	121.3470	0.000	1	121.3470	0.000	1	122.2892	0.510	21	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]C)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H){1|C<4>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]2)	121.8183	0.056	3	121.5667	0.255	4	122.2892	0.510	21	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]C)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H){1|C<4>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]2)	120.8120	0.000	1	121.5667	0.255	4	122.2892	0.510	21	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]H)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]2)	121.7265	0.057	2	121.7265	0.003	2	122.2892	0.510	21	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]H)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]H){1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[5a,6a]2)	123.0400	0.000	1	123.0400	0.000	1	122.2892	0.510	21	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]S)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|S<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]S){1|C<4>,1|O<2>,3|C<3>}	H(C[6a]C[5a,6a]2)	122.9900	0.011	2	122.8893	0.015	4	122.2892	0.510	21	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]S)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|S<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]S){1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[5a,6a]2)	122.8360	0.000	1	122.8893	0.015	4	122.2892	0.510	21	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]S)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(H){1|S<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]S){1|O<2>,4|C<3>}	H(C[6a]C[5a,6a]2)	122.7410	0.000	1	122.8893	0.015	4	122.2892	0.510	21	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]S)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|S<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]S){1|H<1>,1|S<2>,3|C<3>}	H(C[6a]C[5a,6a]2)	122.0670	0.123	2	121.9715	0.017	4	122.2892	0.510	21	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]S)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]S[5a])(H){1|S<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]S){1|S<2>,4|C<3>}	H(C[6a]C[5a,6a]2)	121.8760	0.003	2	121.9715	0.017	4	122.2892	0.510	21	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])2(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]H)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])2(H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(N[5a]C[5a,6a]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5a,6a]2)	122.4680	0.000	1	122.4680	0.000	1	122.2892	0.510	21	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])2(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]2)	123.0020	0.000	1	123.2430	0.279	3	122.2892	0.510	21	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])2(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]H){1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[5a,6a]2)	123.3635	0.687	2	123.2430	0.279	3	122.2892	0.510	21	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])2(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]Ru)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])2(H){1|Ru<6>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(N[5a]C[5a]Ru){1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[5a,6a]2)	122.3270	0.000	1	122.3270	0.000	1	122.2892	0.510	21	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[5a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[5a])(H){1|B<4>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[5a,6a]H){1|H<1>,1|N<2>,1|N<3>,2|F<1>,3|C<3>}	H(C[6a]C[5a,6a]2)	121.5820	0.013	2	121.5820	0.000	2	121.5820	0.000	2	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H){1|N<3>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,6|C<3>}	H(C[6a]C[5a,6a]2)	121.7197	0.019	3	121.8288	0.023	5	121.8288	0.023	5	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)	H(C[6a]C[5a,6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]2)(H){1|O<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H){1|H<1>,6|C<3>}	H(C[6a]C[5a,6a]2)	121.9925	0.008	2	121.8288	0.023	5	121.8288	0.023	5	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6])(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)	H(C[6a]C[5a,6a]C[6,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H){2|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6,6a])	120.1240	0.000	1	120.1240	0.000	1	120.1240	0.000	1	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]N[5a])(C[6,6a]C[6,6a,6a]C[6])(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6,6a]H)	H(C[6a]C[5a,6a]C[6,6a])	C[6a](C[5a,6a]C[5a,6a,6a]N[5a])(C[6,6a]C[6,6a,6a]C[6])(H){1|N<3>,1|O<1>,5|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6,6a]H){7|C<3>}	H(C[6a]C[5a,6a]C[6,6a])	121.3040	0.000	1	121.3040	0.000	1	121.2473	0.028	3	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]N[5a])(C[6,6a]C[6,6a,6a]C[6])(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(N[5a]C[5a,6a]H)(C[6a]C[6,6a]H)	H(C[6a]C[5a,6a]C[6,6a])	C[6a](C[5a,6a]C[5a,6a,6a]N[5a])(C[6,6a]C[6,6a,6a]C[6])(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(N[5a]C[5a,6a]H)(C[6a]C[6,6a]H){5|C<3>}	H(C[6a]C[5a,6a]C[6,6a])	121.2190	0.226	2	121.2190	0.051	2	121.2473	0.028	3	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]H)	H(C[6a]C[5a,6a]C[6,6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6,6a]2)(H){1|C<4>,1|N<2>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]H){1|H<1>,1|S<4>,4|C<3>}	H(C[6a]C[5a,6a]C[6,6a])	120.7280	0.000	1	120.7280	0.000	1	120.7280	0.000	1	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6,6a]H)(C[5a]S[5a]H)	H(C[6a]C[5a,6a]C[6,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,1|O<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6,6a]H)(C[5a]S[5a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6,6a])	120.2060	0.095	4	120.2060	0.009	4	120.6604	0.217	14	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)(C[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6,6a])	120.0410	0.000	1	120.1975	0.049	2	120.6604	0.217	14	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)(C[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6,6a])	120.3540	0.000	1	120.1975	0.049	2	120.6604	0.217	14	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]H)(C[5a]N[5a]C)	H(C[6a]C[5a,6a]C[6,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]H)(C[5a]N[5a]C){1|C<4>,2|C<3>}	H(C[6a]C[5a,6a]C[6,6a])	120.8260	0.000	1	121.0032	0.079	8	120.6604	0.217	14	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]H)(C[5a]N[5a]C)	H(C[6a]C[5a,6a]C[6,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6,6a]C[6])(H){1|N<3>,1|O<1>,2|N<2>,3|C<4>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]H)(C[5a]N[5a]C){3|C<3>}	H(C[6a]C[5a,6a]C[6,6a])	121.0286	0.294	7	121.0032	0.079	8	120.6604	0.217	14	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6,6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,1|H<1>,1|O<2>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6,6a]H)(N[5a]C[5a]C){1|H<1>,1|O<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6,6a])	119.9710	0.000	1	119.9710	0.000	1	121.1875	0.689	4	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]O[6])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6a]C[6,6a]H)(N[5a]C[5a,6]H)	H(C[6a]C[5a,6a]C[6,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]O[6])(H){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[6a]C[6,6a]H)(N[5a]C[5a,6]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6a]C[5a,6a]C[6,6a])	121.3890	0.000	1	121.3890	0.000	1	121.1875	0.689	4	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]O[6])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6,6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]O[6])(H){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6,6a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6a]C[5a,6a]C[6,6a])	121.5710	0.000	1	121.6950	0.031	2	121.1875	0.689	4	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]O[6])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6,6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]O[6])(H){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6,6a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6,6a])	121.8190	0.000	1	121.6950	0.031	2	121.1875	0.689	4	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6,6])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6,6a]H)	H(C[6a]C[5a,6a]C[6,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6,6])(H){1|H<1>,3|C<3>,4|C<4>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6,6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6,6a])	120.2225	0.045	2	120.2225	0.002	2	120.7667	0.306	6	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6,6a]H)	H(C[6a]C[5a,6a]C[6,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(H){1|C<4>,1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6,6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6,6a])	121.2810	0.000	1	121.2810	0.000	1	120.7667	0.306	6	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6,6a]H)	H(C[6a]C[5a,6a]C[6,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]C[6])(H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6,6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6,6a])	120.3670	0.000	1	120.3670	0.000	1	120.7667	0.306	6	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6,6a]H)	H(C[6a]C[5a,6a]C[6,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(H){1|C<4>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6,6a]H){1|H<1>,1|N<3>,5|C<3>}	H(C[6a]C[5a,6a]C[6,6a])	121.1160	0.000	1	121.1160	0.000	1	120.7667	0.306	6	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6,6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6,6a]H)	H(C[6a]C[5a,6a]C[6,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(H){3|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6,6a]H){1|H<1>,1|N<3>,4|C<3>}	H(C[6a]C[5a,6a]C[6,6a])	121.3910	0.000	1	121.3910	0.000	1	120.7667	0.306	6	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,2|S<2>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	120.0186	0.514	16	120.0186	0.264	16	120.0186	0.264	16	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|N<2>,5|C<3>}	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,1|S<4>,4|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	121.4250	0.000	1	121.4250	0.000	1	120.7750	0.324	3	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H){1|B<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	120.4500	0.117	2	120.4500	0.014	2	120.7750	0.324	3	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[5,6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a,6a]C[5,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[5,6a,6a]C[6a])(H){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a,6a]C[5,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	119.7290	0.000	1	119.7290	0.000	1	119.8366	0.020	5	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[5a,6a,6a]C[6a])(H){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	119.7750	0.083	2	119.7750	0.007	2	119.8366	0.020	5	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	119.9520	0.163	2	119.9520	0.026	2	119.8366	0.020	5	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a,6a]N[5a])(C[6a,6a]C[3x6a]C[6a])(H){1|N<3>,1|O<1>,5|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H){7|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	120.9960	0.000	1	120.9960	0.000	1	120.9960	0.000	1	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a,6a]H)	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a,6a]H){1|H<1>,1|N<2>,5|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	120.5960	0.000	1	120.5960	0.000	1	120.5962	0.021	4	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a,6a]H)	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a,6a]H){1|B<4>,1|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	120.5360	0.199	2	120.5360	0.040	2	120.5962	0.021	4	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a,6a]H)	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|N<3>,2|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a,6a]H){5|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	120.7170	0.000	1	120.7170	0.000	1	120.5962	0.021	4	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]2)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]2)(H){1|H<1>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a,6a])	119.5705	0.127	2	119.5705	0.016	2	120.5825	0.510	50	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[6a]C[6a,6a]H)(C[5a]C[5,5a]N)	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[6a]C[6a,6a]H)(C[5a]C[5,5a]N){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	120.1880	0.000	1	120.1880	0.000	1	120.5825	0.510	50	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]C)	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]C){1|Pd<4>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	120.1075	0.173	2	120.1075	0.030	2	120.5825	0.510	50	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]N)	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]N){1|Co<6>,1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	121.5360	0.891	4	120.7938	0.311	22	120.5825	0.510	50	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]N)	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]N){1|Sn<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	120.7617	0.136	14	120.7938	0.311	22	120.5825	0.510	50	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]N)	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]N){1|Sn<6>,1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	120.1640	0.191	4	120.7938	0.311	22	120.5825	0.510	50	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a,6a]H)(C[5a]O[5a]O)	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|N<2>,2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a,6a]H)(C[5a]O[5a]O){3|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	120.6210	0.000	1	120.6210	0.000	1	120.5825	0.510	50	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]2)	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]2){1|H<1>,6|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	119.6760	0.000	1	119.6760	0.000	1	120.5825	0.510	50	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]C){1|S<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a,6a])	118.9170	0.000	1	118.9170	0.000	1	120.5825	0.510	50	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]C){1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	120.2890	0.000	1	120.2890	0.000	1	120.5825	0.510	50	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|O<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]H){4|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	120.3300	0.185	2	120.3937	0.029	3	120.5825	0.510	50	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){2|H<1>,2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]H){1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	120.5210	0.000	1	120.3937	0.029	3	120.5825	0.510	50	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|C<2>,1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]H){1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	119.8285	0.062	2	119.7890	0.007	3	120.5825	0.510	50	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|S<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	119.7100	0.000	1	119.7890	0.007	3	120.5825	0.510	50	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]I)	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|I<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]I){1|Si<4>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	120.5310	0.000	1	120.5310	0.000	1	120.5825	0.510	50	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]S)	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,2|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]S){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a,6a])	118.6700	0.000	1	118.6700	0.000	1	120.5825	0.510	50	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]C)	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]C){3|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	121.6090	0.000	1	121.6090	0.000	1	120.5825	0.510	50	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]Cl)	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]Cl){3|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	121.6140	0.000	1	121.6140	0.000	1	120.5825	0.510	50	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]H)	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]H){3|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	121.5355	0.060	2	121.1725	0.089	6	120.5825	0.510	50	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]H)	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)(C[5a]N[5a]H){3|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	120.9910	0.123	4	121.1725	0.089	6	120.5825	0.510	50	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)(C[5a]O[5a]O)	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)(C[5a]O[5a]O){3|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	121.4030	0.000	1	121.4030	0.000	1	120.5825	0.510	50	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]I)	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|I<1>,1|N<2>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]I){1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	120.7190	0.000	1	120.7190	0.000	1	120.5825	0.510	50	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]N)	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|S<2>,2|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a,6a]H)(C[5a]C[5a]N){1|N<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	120.4860	0.000	1	120.4860	0.000	1	120.5825	0.510	50	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]C)	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]2)(H){1|C<4>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]C){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	120.2552	0.119	5	120.3480	0.063	6	121.0375	1.364	24	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]C)	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]2)(H){1|C<4>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]C){5|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	120.8120	0.000	1	120.3480	0.063	6	121.0375	1.364	24	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]S)	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]2)(H){1|S<4>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]S){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	120.6640	0.000	1	120.6640	0.000	1	121.0375	1.364	24	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]C)	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|C<2>,1|C<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]C){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	121.2160	0.000	1	121.2160	0.000	1	121.0375	1.364	24	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]H)	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	121.6730	1.594	2	122.4867	3.256	3	121.0375	1.364	24	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]H)	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	124.1140	0.000	1	122.4867	3.256	3	121.0375	1.364	24	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]S)	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|C<4>,1|S<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]S){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	120.6080	0.000	1	120.7917	0.038	3	121.0375	1.364	24	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]S)	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|S<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]S){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	120.8835	0.158	2	120.7917	0.038	3	121.0375	1.364	24	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a]S)	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|S<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a]S){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a,6a])	122.5470	0.000	1	122.5470	0.000	1	121.0375	1.364	24	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a]C){1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	121.2380	0.092	2	121.2380	0.008	2	121.0375	1.364	24	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a]H){1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	119.7030	0.000	1	120.6457	0.720	3	121.0375	1.364	24	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a,6a])	121.1170	0.327	2	120.6457	0.720	3	121.0375	1.364	24	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]H)	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(H){1|C<4>,1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[5a]C[5a,6a]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	120.8293	2.258	3	120.8293	5.098	3	121.0375	1.364	24	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(H){1|H<1>,2|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(N[5a]C[5a]H){1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	121.6500	0.000	1	121.6500	0.000	1	121.0375	1.364	24	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a,6a]H)	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,1|N<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a,6a]H){1|C<4>,1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	120.6200	0.000	1	120.6200	0.000	1	120.6200	0.000	1	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a,6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(H){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	120.8220	0.000	1	120.8220	0.000	1	120.8220	0.000	1	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[3,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[3,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[3,5a]N[3,5a]H[3])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[3,5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|H<2>,1|N<2>,1|N<4>}	C[5a,6a](C[3,5a]N[3,5a]H[3])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9270	0.000	1	120.9270	0.000	1	120.9270	0.000	1	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a,6a]-3:C[5,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5,5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a,6a]C[5,6a]N[5,5a])(C[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5,5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5,5a,6a]C[5,6a]N[5,5a])(C[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.6630	0.000	2	120.6630	0.000	2	120.6630	0.000	2	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5,5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a,6a]C[5,6a]N[5,5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5,5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5,5a,6a]C[5,6a]N[5,5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.5310	0.000	2	120.9877	0.162	6	120.9877	0.162	6	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5,5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a,6a]C[5,6a]N[5,5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5,5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5,5a,6a]C[5,6a]N[5,5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.2160	0.249	4	120.9877	0.162	6	120.9877	0.162	6	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5,5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5,5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|S<4>,3|C<3>}	C[5a,6a](C[5,5a,6a]C[5,5a]C[5,6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|H<1>,2|C<3>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.8240	0.000	1	121.8240	0.000	1	121.8240	0.000	1	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.1280	0.000	1	120.1280	0.000	1	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]C)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.7340	0.000	1	119.7340	0.000	1	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]C)(H){1|Si<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,3|C<4>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.9390	0.000	1	119.9390	0.000	1	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5690	0.000	1	121.3730	0.031	3	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2750	0.062	2	121.3730	0.031	3	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]Cl)(H){1|Si<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>,3|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.9300	0.000	1	120.9300	0.000	1	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|S<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7570	0.000	1	120.7570	0.000	1	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5,6,6]C[5,5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5,5a]C[5,5,6,6]C[5,5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.6295	0.053	2	120.6295	0.003	2	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]B[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5,5a]C[5,5a]B[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4640	0.000	1	120.4640	0.000	1	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]B[5])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5,5a]C[5,5a]B[5])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2120	0.000	1	121.2120	0.000	1	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]B[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5,5a]C[5,5a]B[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.1287	0.226	3	120.1110	0.035	4	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]B[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5,5a]C[5,5a]B[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.0580	0.000	1	120.1110	0.035	4	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4550	0.000	1	120.7535	0.133	8	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6850	0.000	1	120.7535	0.133	8	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<4>,2|H<1>,3|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.6095	0.456	2	120.7535	0.133	8	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5980	0.000	1	120.7535	0.133	8	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8315	0.353	2	120.7535	0.133	8	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4080	0.000	1	120.7535	0.133	8	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5707	0.358	3	120.5707	0.128	3	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2130	0.000	1	120.3900	0.064	3	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.2770	0.000	1	120.3900	0.064	3	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6800	0.000	1	120.3900	0.064	3	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.1700	0.000	1	120.1700	0.000	1	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6118	0.943	5	120.6118	0.889	5	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6300	0.000	1	120.5540	0.044	10	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<2>,4|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5000	0.000	1	120.5540	0.044	10	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.3650	0.000	1	120.5540	0.044	10	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4470	0.000	1	120.5540	0.044	10	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,2|S<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8910	0.000	1	120.5540	0.044	10	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5737	0.274	3	120.5540	0.044	10	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|Si<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.3090	0.000	1	120.5540	0.044	10	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){5|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|C<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6770	0.000	1	120.5540	0.044	10	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|S<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2050	0.000	1	120.4745	0.749	63	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8770	0.000	1	120.4745	0.749	63	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6103	0.119	4	120.4745	0.749	63	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|H<1>,4|C<4>}	H(C[6a]C[5a,6a]C[6a])	115.3260	0.000	1	120.4745	0.749	63	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|S<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6840	0.000	1	120.4745	0.749	63	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4389	0.300	14	120.4745	0.749	63	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|H<1>,5|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.3530	0.000	1	120.4745	0.749	63	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.1440	0.000	1	120.4745	0.749	63	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.5490	0.000	2	120.4745	0.749	63	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6610	0.276	4	120.4745	0.749	63	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6930	0.000	1	120.4745	0.749	63	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7760	0.000	1	120.4745	0.749	63	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Si<4>,1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7730	0.000	2	120.4745	0.749	63	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8340	0.428	5	120.4745	0.749	63	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|H<1>,4|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.5720	2.628	2	120.4745	0.749	63	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.5150	0.120	2	120.4745	0.749	63	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.4920	0.000	1	120.4745	0.749	63	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|S<4>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6100	0.079	2	120.4745	0.749	63	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7790	0.000	1	120.4745	0.749	63	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.6525	0.001	2	120.4745	0.749	63	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8350	0.024	2	120.4745	0.749	63	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6130	0.052	2	120.4745	0.749	63	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6360	0.089	2	120.4745	0.749	63	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.3240	0.000	1	120.4745	0.749	63	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.1440	0.000	1	120.4745	0.749	63	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	118.0350	0.000	1	120.4745	0.749	63	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5810	0.000	1	120.4745	0.749	63	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.2250	0.132	2	120.4745	0.749	63	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5615	0.021	2	120.4745	0.749	63	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.3410	0.000	1	119.0088	1.011	5	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	118.6757	0.780	4	119.0088	1.011	5	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]Ge[5])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|Ge<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5,5a]C[5,5a]Ge[5])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7110	0.000	1	120.5950	0.027	2	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]Ge[5])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|Ge<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5,5a]C[5,5a]Ge[5])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4790	0.000	1	120.5950	0.027	2	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]N[5])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5,5a]C[5,5a]N[5])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8250	0.000	1	120.8250	0.000	1	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]N[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5,5a]C[5,5a]N[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.2380	0.000	1	120.2380	0.000	1	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]O[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5,5a]C[5,5a]O[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8750	0.000	1	120.8750	0.000	1	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]P[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<4>,2|C<3>}	C[5a,6a](C[5,5a]C[5,5a]P[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7790	0.106	2	120.7790	0.011	2	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]P[5])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|P<4>,2|C<3>}	C[5a,6a](C[5,5a]C[5,5a]P[5])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0405	0.030	2	120.8737	0.017	6	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]P[5])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|P<4>,2|C<3>}	C[5a,6a](C[5,5a]C[5,5a]P[5])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|S<1>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7903	0.029	4	120.8737	0.017	6	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]P[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,1|S<2>,2|C<3>}	C[5a,6a](C[5,5a]C[5,5a]P[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5914	0.198	7	120.3204	0.151	15	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]P[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,1|S<2>,2|C<3>}	C[5a,6a](C[5,5a]C[5,5a]P[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.0632	0.422	6	120.3204	0.151	15	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]P[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|P<4>,1|S<2>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]P[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.1435	0.112	2	120.3204	0.151	15	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]S[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,1|S<4>,2|C<3>}	C[5a,6a](C[5,5a]C[5,5a]S[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7040	0.139	2	120.8330	0.060	3	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]S[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|S<2>}	C[5a,6a](C[5,5a]C[5,5a]S[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0910	0.000	1	120.8330	0.060	3	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|H<1>,5|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.4700	0.000	1	120.6362	0.119	9	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.3420	0.000	1	120.6362	0.119	9	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6930	0.409	4	120.6362	0.119	9	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.7140	0.391	3	120.6362	0.119	9	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9870	0.000	1	120.9870	0.000	1	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5,5a]C[5,5a]Si[5])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.0300	0.135	5	120.0300	0.018	5	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]N[5,5a,6a]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5,5a]N[5,5a,6a]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8820	0.000	1	120.7570	0.031	2	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]N[5,5a,6a]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5,5a]N[5,5a,6a]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6320	0.000	1	120.7570	0.031	2	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]N[5,5a]N[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5a,6a](C[5,5a]N[5,5a]N[5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.0235	0.091	2	121.0235	0.008	2	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2285	0.220	2	121.2285	0.048	2	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]N)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|Si<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2840	0.000	1	121.2840	0.000	1	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,1|S<4>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5490	0.000	1	120.5490	0.000	1	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5,5a]N[5,5a,6]C[5,5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5,5a]N[5,5a,6]C[5,5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,1|P<6>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6935	0.343	2	120.6935	0.118	2	120.4996	0.487	170	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:N[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.9640	0.000	1	119.9615	0.000	2	119.9615	0.000	2	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:N[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5,5a]C[5,5a]C[5])(N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5,5a]C[5,5a]C[5])(N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.9590	0.000	1	119.9615	0.000	2	119.9615	0.000	2	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a,6a]C[5a,6a])(C[6a]C[6a]B[5])(H)	C[5a,6a](C[5a,5a,6a]C[5a,6a]N[5a,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,5a,6a]C[5a,6a])(C[6a]C[6a]B[5])(H){1|H<1>,1|N<3>,2|O<2>,3|C<3>}	C[5a,6a](C[5a,5a,6a]C[5a,6a]N[5a,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|B<3>,1|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4345	0.145	2	120.4345	0.021	2	120.7220	0.252	8	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a,6a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a,6a]C[5a,6a]N[5a,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,5a,6a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,5a,6a]C[5a,6a]N[5a,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5310	0.529	2	120.8178	0.304	6	120.7220	0.252	8	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a,6a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a,6a]C[5a,6a]N[5a,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,5a,6a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,5a,6a]C[5a,6a]N[5a,5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9613	0.576	4	120.8178	0.304	6	120.7220	0.252	8	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|S<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2180	0.000	1	121.2180	0.000	1	120.4424	0.175	184	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7510	0.399	2	120.7510	0.159	2	120.4424	0.175	184	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,5a]C[5a,5a]O[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]O[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2930	0.000	1	121.2930	0.000	1	120.4424	0.175	184	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2330	0.000	1	121.2330	0.000	1	120.4424	0.175	184	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|N<3>,1|S<4>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.4220	0.000	1	121.4220	0.000	1	120.4424	0.175	184	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]B[5a])(C[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|B<3>,2|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]B[5a])(C[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5270	0.000	1	120.5270	0.000	1	120.4424	0.175	184	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5,5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]C[5,5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|S<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6430	0.000	2	120.6110	0.005	4	120.4424	0.175	184	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5,5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]C[5,5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5790	0.106	2	120.6110	0.005	4	120.4424	0.175	184	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4855	0.118	2	120.4855	0.014	2	120.4424	0.175	184	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3490	0.000	1	120.4613	0.018	18	120.4424	0.175	184	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3830	0.000	1	120.4613	0.018	18	120.4424	0.175	184	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4393	0.183	3	120.4613	0.018	18	120.4424	0.175	184	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.3710	0.137	3	120.4613	0.018	18	120.4424	0.175	184	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4240	0.000	1	120.4613	0.018	18	120.4424	0.175	184	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5510	0.083	2	120.4613	0.018	18	120.4424	0.175	184	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,1|S<4>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4950	0.000	1	120.4613	0.018	18	120.4424	0.175	184	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3865	0.080	2	120.4613	0.018	18	120.4424	0.175	184	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<2>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5470	0.139	3	120.4613	0.018	18	120.4424	0.175	184	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,1|S<2>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7050	0.000	1	120.4613	0.018	18	120.4424	0.175	184	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7205	0.121	2	120.7205	0.015	2	120.4424	0.175	184	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.1238	0.091	4	120.1868	0.026	5	120.4424	0.175	184	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4390	0.000	1	120.1868	0.026	5	120.4424	0.175	184	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5620	0.000	1	120.3418	0.080	10	120.4424	0.175	184	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4740	0.635	2	120.3418	0.080	10	120.4424	0.175	184	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.2255	0.424	2	120.3418	0.080	10	120.4424	0.175	184	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2750	0.062	3	120.3418	0.080	10	120.4424	0.175	184	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.3160	0.007	2	120.3418	0.080	10	120.4424	0.175	184	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5560	0.000	1	120.6655	0.024	2	120.4424	0.175	184	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7750	0.000	1	120.6655	0.024	2	120.4424	0.175	184	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3845	0.218	2	120.2134	0.027	12	120.4424	0.175	184	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.9973	0.035	3	120.2134	0.027	12	120.4424	0.175	184	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.2662	0.110	4	120.2134	0.027	12	120.4424	0.175	184	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2450	0.019	3	120.2134	0.027	12	120.4424	0.175	184	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]O[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]O[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.6620	0.000	1	121.1600	0.504	2	120.4424	0.175	184	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]O[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]O[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6580	0.000	1	121.1600	0.504	2	120.4424	0.175	184	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]O[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]O[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5637	0.045	4	120.4432	0.074	5	120.4424	0.175	184	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]O[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|O<2>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]O[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.9610	0.000	1	120.4432	0.074	5	120.4424	0.175	184	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5541	0.118	7	120.5871	0.015	9	120.4424	0.175	184	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7025	0.011	2	120.5871	0.015	9	120.4424	0.175	184	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6400	0.000	1	120.9297	0.154	3	120.4424	0.175	184	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7730	0.000	1	120.9297	0.154	3	120.4424	0.175	184	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|O<2>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3760	0.000	1	120.9297	0.154	3	120.4424	0.175	184	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|Br<1>,2|C<3>,2|S<2>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5270	0.000	2	120.2801	0.170	79	120.4424	0.175	184	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|S<2>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.3191	0.465	21	120.2801	0.170	79	120.4424	0.175	184	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|S<2>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.8080	0.000	1	120.2801	0.170	79	120.4424	0.175	184	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|S<2>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.2765	0.427	32	120.2801	0.170	79	120.4424	0.175	184	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|S<2>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.1761	0.193	7	120.2801	0.170	79	120.4424	0.175	184	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|S<4>,2|C<3>,2|S<2>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.2940	0.000	1	120.2801	0.170	79	120.4424	0.175	184	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|Si<4>,2|C<3>,2|S<2>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.3267	0.042	3	120.2801	0.170	79	120.4424	0.175	184	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){2|S<2>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.2674	0.484	12	120.2801	0.170	79	120.4424	0.175	184	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7000	0.000	1	120.5793	0.057	11	120.4424	0.175	184	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5847	0.307	6	120.5793	0.057	11	120.4424	0.175	184	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,5a]N[5a,5a,6]C[5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5410	0.156	4	120.5793	0.057	11	120.4424	0.175	184	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]N[5a,5a,6]N[5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,5a]N[5a,5a,6]N[5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7960	0.000	1	120.8055	0.000	2	120.4424	0.175	184	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]N[5a,5a,6]N[5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,5a]N[5a,5a,6]N[5a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8150	0.000	1	120.8055	0.000	2	120.4424	0.175	184	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	H(C[6a]C[5a,6a]C[6a])	121.1235	0.665	2	121.1907	0.235	3	120.4424	0.175	184	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3250	0.000	1	121.1907	0.235	3	120.4424	0.175	184	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,2|N<3>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.2220	0.000	1	120.2220	0.000	1	120.4424	0.175	184	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|S<2>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3490	0.746	3	120.8772	0.522	6	120.4424	0.175	184	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,2|S<2>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4053	0.284	3	120.8772	0.522	6	120.4424	0.175	184	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,5a]N[5a,5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]O)(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,5a]N[5a,5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|O<2>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0320	0.000	1	121.0320	0.000	1	120.4424	0.175	184	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6,6]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6,6]C[5a,6,6]C[4x6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6,6]C[5a,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6,6]C[5a,6,6]C[4x6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|H<1>,4|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.3090	0.000	1	120.3090	0.000	1	120.3090	0.000	1	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:C[5a,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6,6a]C[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6,6a]C[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7350	0.000	1	120.7350	0.000	1	120.7350	0.000	1	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[6a]C[6,6a]C)(H)	C[5a,6a](C[5a,6,6a]C[6,6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[6a]C[6,6a]C)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	H(C[6a]C[5a,6a]C[6a])	119.6517	0.292	3	119.6517	0.085	3	120.1375	0.509	12	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|B<4>,1|C<4>,1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.8483	0.857	4	119.8483	0.734	4	120.1375	0.509	12	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.2935	0.521	2	120.5478	0.188	4	120.1375	0.509	12	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|Si<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6710	0.000	1	120.5478	0.188	4	120.1375	0.509	12	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[6a]C[6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9330	0.000	1	120.5478	0.188	4	120.1375	0.509	12	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[6a]N[6a]H)(H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6,6a]C[5a,6a])(C[6a]N[6a]H)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,1|S<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1110	0.000	1	121.1110	0.000	1	120.1375	0.509	12	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.8920	0.000	1	120.4690	0.187	3	120.7272	0.504	15	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,3|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.0280	0.000	1	120.4690	0.187	3	120.7272	0.504	15	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.4870	0.000	1	120.4690	0.187	3	120.7272	0.504	15	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.9270	0.904	2	121.9270	0.817	2	120.7272	0.504	15	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]Cl)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]Cl)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0760	0.000	1	121.0760	0.000	1	120.7272	0.504	15	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]H)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4540	0.801	3	120.3437	0.231	7	120.7272	0.504	15	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2610	0.114	4	120.3437	0.231	7	120.7272	0.504	15	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	H(C[6a]C[5a,6a]C[6a])	121.1150	0.000	1	121.1150	0.000	1	120.7272	0.504	15	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]N[5a]I)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|I<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[5a]N[5a]I)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0500	0.000	1	121.0500	0.000	1	120.7272	0.504	15	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|Br<1>,2|C<3>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	122.4040	0.000	1	122.4040	0.000	1	121.3803	0.556	39	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|C<4>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.7210	0.000	1	121.7210	0.000	1	121.3803	0.556	39	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|B<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.9560	0.000	1	121.1305	1.664	8	121.3803	0.556	39	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6028	1.735	4	121.1305	1.664	8	121.3803	0.556	39	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1820	0.000	1	121.1305	1.664	8	121.3803	0.556	39	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.9140	0.000	1	121.1305	1.664	8	121.3803	0.556	39	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5810	0.000	1	121.1305	1.664	8	121.3803	0.556	39	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2980	0.000	1	121.4356	0.124	17	121.3803	0.556	39	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>,3|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.6193	0.234	3	121.4356	0.124	17	121.3803	0.556	39	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5109	0.224	8	121.4356	0.124	17	121.3803	0.556	39	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2324	0.537	5	121.4356	0.124	17	121.3803	0.556	39	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7340	0.000	1	121.7340	0.000	1	121.3803	0.556	39	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	122.0724	0.295	5	122.0724	0.087	5	121.3803	0.556	39	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(N[5a]B[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(N[5a]B[5a]C){1|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6937	0.143	6	120.6937	0.020	6	121.3803	0.556	39	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|S<4>,2|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4410	0.000	1	121.2977	0.153	18	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2805	0.433	13	121.2977	0.153	18	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<3>,4|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.9110	0.000	1	121.2977	0.153	18	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.4220	0.318	2	121.2977	0.153	18	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5150	0.000	1	121.2977	0.153	18	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	H(C[6a]C[5a,6a]C[6a])	119.9180	0.041	2	120.1136	0.086	16	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|H<1>,5|C<4>}	H(C[6a]C[5a,6a]C[6a])	119.7650	0.000	1	120.1136	0.086	16	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.2030	0.000	1	120.1136	0.086	16	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2473	0.264	9	120.1136	0.086	16	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	H(C[6a]C[5a,6a]C[6a])	119.5860	0.000	1	120.1136	0.086	16	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3070	0.000	1	120.1136	0.086	16	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	H(C[6a]C[5a,6a]C[6a])	119.8950	0.000	1	120.1136	0.086	16	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.1540	0.000	1	120.1540	0.000	1	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	119.9387	0.137	3	119.9387	0.019	3	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6]N[5a,5a,6]C[6])(C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]N[5a,5a,6]C[6])(C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6230	0.000	1	120.6230	0.000	1	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]C)(H){1|C<3>,1|N<2>,1|O<1>,2|N<3>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.8120	0.000	1	121.8120	0.000	1	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2487	0.220	3	121.2918	0.028	5	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3530	0.000	1	121.2918	0.028	5	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3600	0.000	1	121.2918	0.028	5	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Cl)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0770	0.000	1	121.0770	0.000	1	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.2490	0.000	1	121.2490	0.000	1	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|B<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9752	0.158	10	120.9752	0.025	10	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|F<1>,2|C<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6417	0.098	3	121.6088	0.011	4	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|F<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.5100	0.000	1	121.6088	0.011	4	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]F)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|N<2>,2|C<3>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.5480	0.000	1	121.5480	0.000	1	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]F)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.5700	0.000	1	121.5700	0.000	1	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]F)(H){1|F<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,1|F<1>,1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.7082	0.075	18	121.7082	0.006	18	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5,6,6]C[5a,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5,6,6]C[5a,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3870	0.000	1	120.3870	0.000	1	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.1488	0.772	10	120.4251	0.327	23	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6970	0.000	1	120.4251	0.327	23	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6830	0.000	1	120.4251	0.327	23	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6109	0.218	10	120.4251	0.327	23	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6,6]C[6])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8010	0.000	1	120.4251	0.327	23	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]B[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]B[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|B<3>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.1425	0.117	2	120.1425	0.014	2	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[3,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[3,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|C<5>,1|H<2>,1|N<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.1350	0.000	1	120.1350	0.000	1	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4880	0.000	1	120.5775	0.058	11	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<2>,2|H<1>,3|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.3680	0.000	1	120.5775	0.058	11	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.0520	0.000	1	120.5775	0.058	11	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.6570	0.000	1	120.5775	0.058	11	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4590	0.000	1	120.5775	0.058	11	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6450	0.000	1	120.5775	0.058	11	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6a]C[5a,6a]C[6a])	120.8750	0.000	1	120.5775	0.058	11	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7437	0.165	3	120.5775	0.058	11	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5770	0.000	1	120.5775	0.058	11	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3820	0.000	1	120.3820	0.000	1	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.7870	0.133	2	120.0958	0.654	19	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.8394	1.140	8	120.0958	0.654	19	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6850	0.249	2	120.0958	0.654	19	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7070	0.000	1	120.0958	0.654	19	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.3993	0.125	3	120.0958	0.654	19	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.5030	0.000	1	120.0958	0.654	19	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4080	0.000	1	120.0958	0.654	19	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3460	0.000	1	120.0958	0.654	19	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5080	0.000	1	120.3610	0.016	3	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2920	0.000	1	120.3610	0.016	3	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.2830	0.000	1	120.3610	0.016	3	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.1600	0.027	2	120.5471	0.216	381	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3560	0.000	1	120.5471	0.216	381	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|N<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8150	0.000	1	120.5471	0.216	381	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|F<1>,2|C<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5715	0.146	2	120.5471	0.216	381	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|S<4>,2|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6190	0.000	1	120.5471	0.216	381	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|S<4>,2|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7850	0.000	1	120.5471	0.216	381	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7980	0.000	1	120.5471	0.216	381	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5920	0.000	2	120.5471	0.216	381	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7260	0.098	2	120.5471	0.216	381	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7805	0.165	4	120.5471	0.216	381	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|S<4>,3|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7597	0.101	3	120.5471	0.216	381	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5164	0.465	123	120.5471	0.216	381	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|H<1>,5|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.6010	0.000	1	120.5471	0.216	381	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3972	0.635	31	120.5471	0.216	381	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.3410	0.133	5	120.5471	0.216	381	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6325	0.101	6	120.5471	0.216	381	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7310	0.000	1	120.5471	0.216	381	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7070	0.062	2	120.5471	0.216	381	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5070	0.000	1	120.5471	0.216	381	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8134	0.275	5	120.5471	0.216	381	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5235	0.354	2	120.5471	0.216	381	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	118.5680	0.000	1	120.5471	0.216	381	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4115	0.130	4	120.5471	0.216	381	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4315	0.186	2	120.5471	0.216	381	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5941	0.212	36	120.5471	0.216	381	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6055	0.270	4	120.5471	0.216	381	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5155	0.035	2	120.5471	0.216	381	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6680	0.000	1	120.5471	0.216	381	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4403	0.116	4	120.5471	0.216	381	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3700	0.000	1	120.5471	0.216	381	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7100	0.000	1	120.5471	0.216	381	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6966	0.288	34	120.5471	0.216	381	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6337	0.311	17	120.5471	0.216	381	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5078	0.042	6	120.5471	0.216	381	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|S<4>,2|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3550	0.000	1	120.5471	0.216	381	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5420	0.000	1	120.5471	0.216	381	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5150	0.491	2	120.5471	0.216	381	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2627	0.110	4	120.5471	0.216	381	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4050	0.261	4	120.5471	0.216	381	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4360	0.192	2	120.5471	0.216	381	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2480	0.000	1	120.5471	0.216	381	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.0585	0.074	2	120.5471	0.216	381	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4090	0.000	1	120.5471	0.216	381	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8480	0.000	1	120.5471	0.216	381	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7935	0.333	2	120.5471	0.216	381	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|S<4>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5175	0.663	2	120.5471	0.216	381	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6517	0.042	3	120.5471	0.216	381	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6a]C[5a,6a]C[6a])	119.7897	1.744	3	120.5471	0.216	381	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|S<1>,2|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6700	0.000	1	120.5471	0.216	381	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	118.9090	0.000	1	120.5471	0.216	381	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0080	0.000	1	120.5471	0.216	381	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8690	0.000	1	120.5471	0.216	381	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4220	0.000	1	120.5471	0.216	381	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5530	0.000	1	120.5471	0.216	381	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5055	0.047	2	120.5471	0.216	381	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5537	0.054	3	120.5471	0.216	381	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6927	0.460	4	120.5471	0.216	381	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5910	0.000	1	120.5471	0.216	381	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5850	0.000	1	120.5471	0.216	381	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<1>,1|S<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8180	0.000	1	120.5471	0.216	381	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7615	0.292	2	120.5471	0.216	381	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8937	0.133	3	120.5471	0.216	381	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2680	0.000	1	120.5471	0.216	381	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	118.3960	0.000	1	120.5471	0.216	381	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7290	0.000	1	120.5471	0.216	381	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4882	0.159	5	120.5471	0.216	381	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3387	0.878	7	120.5471	0.216	381	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.1025	0.172	2	120.5471	0.216	381	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.6690	0.000	1	120.5471	0.216	381	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7390	0.000	1	120.5471	0.216	381	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8450	0.062	4	120.7436	0.224	22	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8100	0.293	7	120.7436	0.224	22	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1150	0.000	1	120.7436	0.224	22	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.9440	0.000	1	120.7436	0.224	22	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2088	0.709	5	120.7436	0.224	22	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0060	0.000	1	120.7436	0.224	22	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1710	0.204	2	120.7436	0.224	22	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8580	0.000	1	120.7436	0.224	22	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.1360	0.000	1	120.1403	0.042	6	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.9785	0.265	2	120.1403	0.042	6	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.1110	0.000	1	120.1403	0.042	6	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3190	0.146	2	120.1403	0.042	6	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1180	0.000	1	121.3192	0.019	6	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3625	0.124	4	121.3192	0.019	6	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3470	0.000	1	121.3192	0.019	6	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	H(C[6a]C[5a,6a]C[6a])	121.0680	0.000	1	120.6413	0.054	15	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8970	0.000	1	120.6413	0.054	15	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cu<2>,1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2930	0.000	1	120.6413	0.054	15	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7720	0.013	2	120.6413	0.054	15	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7028	0.059	6	120.6413	0.054	15	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Pd<4>,1|B<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.3447	0.146	3	120.6413	0.054	15	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5670	0.000	1	120.6413	0.054	15	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1220	0.000	1	120.8688	0.080	4	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7843	0.278	3	120.8688	0.080	4	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]N[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5510	0.540	3	120.5510	0.292	3	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1970	0.397	4	121.1106	0.155	5	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7650	0.000	1	121.1106	0.155	5	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6910	0.147	5	120.6908	0.017	6	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]O[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6900	0.000	1	120.6908	0.017	6	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|S<2>}	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2970	0.000	1	120.5627	0.049	4	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|S<2>}	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5785	0.142	2	120.5627	0.049	4	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|S<2>}	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7970	0.000	1	120.5627	0.049	4	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[5a,6]Si[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]Si[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|Si<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.0610	0.081	2	120.0610	0.006	2	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5310	0.112	3	120.5310	0.013	3	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7575	0.087	2	120.7575	0.008	2	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]N[5a,5a,6]C[6])(C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]N[5a,5a,6]C[6])(C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5280	0.000	1	120.6773	0.094	12	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]N[5a,5a,6]C[6])(C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]N[5a,5a,6]C[6])(C[5a,6a]C[5a,5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6909	0.317	11	120.6773	0.094	12	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]N[5a,6,6]C[6,6a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6]C[6,6a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7890	0.149	3	120.7890	0.022	3	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]N[5a,6,6]C[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6]C[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8268	0.143	5	120.8365	0.013	8	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]N[5a,6,6]C[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6]C[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8527	0.064	3	120.8365	0.013	8	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0045	0.403	364	121.0956	0.274	488	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|Ge<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9167	1.073	4	121.0956	0.274	488	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|Ge<6>,1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4344	1.327	14	121.0956	0.274	488	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|In<5>,1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3029	0.180	8	121.0956	0.274	488	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|Si<6>,1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3757	0.603	98	121.0956	0.274	488	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]N[5a,6,6a]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6a]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9163	0.428	3	120.9257	0.122	4	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]N[5a,6,6a]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6a]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9540	0.000	1	120.9257	0.122	4	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]N[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6]N[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4450	0.000	1	120.9800	0.432	2	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]N[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6]N[5a,6]C[6,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5150	0.000	1	120.9800	0.432	2	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|B<4>,1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5040	0.205	2	120.9030	0.047	25	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8432	0.037	4	120.9030	0.047	25	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9807	0.141	17	120.9030	0.047	25	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|I<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7610	0.540	2	120.9030	0.047	25	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1230	0.000	1	120.9776	0.049	9	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.7637	0.030	3	120.9776	0.049	9	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7440	0.000	1	120.9776	0.049	9	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2180	0.040	3	120.9776	0.049	9	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9860	0.000	1	120.9776	0.049	9	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]N[5a,6]N[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]N[5a,6]N[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1284	0.120	9	121.1284	0.014	9	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]N[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|N<3>}	C[5a,6a](C[5a,6]N[5a,6]N[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0090	0.000	1	121.0090	0.000	1	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6]C[5,6,6]C[5a,6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6]C[5,6,6]C[5a,6])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	H(C[6a]C[5a,6a]C[6a])	120.9250	0.000	1	120.9250	0.000	1	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0374	0.254	5	120.9928	0.055	12	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0787	0.173	4	120.9928	0.055	12	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.0290	0.000	1	120.9928	0.055	12	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,3|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.5520	0.000	1	120.9928	0.055	12	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.8310	0.000	1	120.9928	0.055	12	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,2|S<2>}	C[5a,6a](C[5a,6]C[5a,6]S[6])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4025	0.139	2	120.4025	0.019	2	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6]C[6,6a]N[5a,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8390	0.000	1	120.8390	0.000	1	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6]N[5,5a,6]N[6])(C[5a,6a]C[5,5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6]N[5,5a,6]N[6])(C[5a,6a]C[5,5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,1|P<6>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6735	0.168	2	120.6735	0.028	2	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.9950	0.000	1	120.8726	0.357	5	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]O)(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6]N[5a,6,6]N[6])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,1|P<6>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0920	0.394	4	120.8726	0.357	5	120.8357	0.321	1185	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:N[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(N[5a,6a]B[5a]B[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|B<3>,1|B<4>,1|C<3>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(N[5a,6a]B[5a]B[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.2420	0.000	1	120.2420	0.000	1	120.8680	0.784	2	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:N[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6]N[5a,6]C[6])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6]N[5a,6]C[6])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4940	0.000	1	121.4940	0.000	1	120.8680	0.784	2	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]C[5,5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5,5a]C[5,5a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]C[5,5a])(C[6a]C[5a,6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5,5a]C[5,5a]N[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|P<2>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.8780	0.518	2	119.8780	0.268	2	119.8780	0.268	2	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,5a])(C[6a]C[5a,6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]H){1|B<3>,1|H<1>,1|N<3>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.6875	0.272	2	119.6875	0.074	2	120.4487	0.483	8	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,5a]C[5,5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,5a]C[5,5a])(C[6a]C[6a]H){1|H<1>,1|S<2>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8830	0.000	1	120.8830	0.000	1	120.4487	0.483	8	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,5a]C[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,5a]C[5a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.0190	0.321	2	120.0190	0.103	2	120.4487	0.483	8	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2265	0.347	2	121.2265	0.121	2	120.4487	0.483	8	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,5a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,5a]C[5a,5a]S[5a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8410	0.000	1	120.8410	0.000	1	120.4487	0.483	8	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a]H){1|B<4>,1|C<2>,1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1910	0.187	3	121.2225	0.027	4	121.3199	0.024	9	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a]H){1|H<1>,1|S<4>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3170	0.000	1	121.2225	0.027	4	121.3199	0.024	9	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]N[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a,6]N[6])(C[6a]C[6a]H){1|B<4>,1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3978	0.100	5	121.3978	0.010	5	121.3199	0.024	9	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[5,6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[5,6a]H)(H){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.7440	0.000	1	119.7440	0.000	1	121.0014	0.770	57	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[5a,6a]H)(H){5|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.7665	0.226	2	119.7665	0.051	2	121.0014	0.770	57	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6,6a]H)(H){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8100	0.000	1	120.8100	0.000	1	121.0014	0.770	57	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[6,6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[6,6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|B<3>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.7080	0.000	1	119.7080	0.000	1	121.0014	0.770	57	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.1852	0.131	4	121.2494	0.944	27	121.0014	0.770	57	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.9260	0.279	2	121.2494	0.944	27	121.0014	0.770	57	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.5781	0.840	21	121.2494	0.944	27	121.0014	0.770	57	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7765	0.087	2	120.8882	0.049	6	121.0014	0.770	57	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9440	0.257	4	120.8882	0.049	6	121.0014	0.770	57	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[5,6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.2800	0.000	1	120.2800	0.000	1	121.0014	0.770	57	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6707	0.211	10	120.6722	0.037	12	121.0014	0.770	57	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6795	0.052	2	120.6722	0.037	12	121.0014	0.770	57	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]S[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]S[6a])(C[6a]C[6a]H){1|H<1>,1|S<2>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	122.0990	1.431	3	122.0990	2.049	3	121.0014	0.770	57	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8630	0.000	1	120.8630	0.000	1	121.0014	0.770	57	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]N[6a]C)(H)	C[5a,6a](C[5a,6a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[6a]N[6a]C)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3585	0.056	2	121.3585	0.003	2	121.0014	0.770	57	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[5a,6a]C[5a])(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a]N[5a]O)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[5a,6a]C[5a])(H){1|O<1>,1|S<2>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a]N[5a]O)(C[6a]C[6a]H){1|C<4>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	118.7960	0.000	1	118.7960	0.000	1	120.1594	1.359	55	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[5a,6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.4790	0.079	2	119.4790	0.006	2	120.1594	1.359	55	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a]C[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[5a,6a]H)(H){1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.6337	0.220	9	119.6926	0.044	17	120.1594	1.359	55	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a]C[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[5a,6a]H)(H){1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.4870	0.000	1	119.6926	0.044	17	120.1594	1.359	55	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a]C[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[5a,6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.6330	0.000	1	119.6926	0.044	17	120.1594	1.359	55	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a]C[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[5a,6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.8252	0.162	6	119.6926	0.044	17	120.1594	1.359	55	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[5a,6a]H)(H){2|S<2>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[5a,6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	117.6880	1.995	4	117.6880	3.980	4	120.1594	1.359	55	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|S<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.4280	0.000	1	121.4280	0.000	1	120.1594	1.359	55	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[6a,6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9387	0.218	8	120.9387	0.048	8	120.1594	1.359	55	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.3920	0.000	1	120.6008	0.020	4	120.1594	1.359	55	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6350	0.000	1	120.6008	0.020	4	120.1594	1.359	55	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6880	0.030	2	120.6008	0.020	4	120.1594	1.359	55	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]O)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9780	0.000	1	120.9780	0.000	1	120.1594	1.359	55	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]Si)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]Si)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.3920	0.041	2	120.3920	0.002	2	120.1594	1.359	55	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	124.1310	0.000	1	121.7945	2.442	4	120.1594	1.359	55	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|H<1>,1|S<4>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0157	0.155	3	121.7945	2.442	4	120.1594	1.359	55	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]C)(C[6a]C[6a]H){1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.3320	0.556	3	120.3320	0.309	3	120.1594	1.359	55	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]S[5a]N)(C[6a]C[6a]H){1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4704	0.147	5	120.4704	0.021	5	120.1594	1.359	55	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]O)(H){2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[5a]O[5a]C)(C[6a]C[6a]H){1|N<2>,1|O<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.5410	0.000	1	121.5410	0.000	1	120.1594	1.359	55	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.8650	0.000	1	120.1585	0.172	2	120.1594	1.359	55	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]C[5a])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a,6a]C[6a,6a]N[5a,6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4520	0.000	1	120.1585	0.172	2	120.1594	1.359	55	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3620	0.000	1	121.3620	0.000	1	121.4685	0.049	4	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.5040	0.257	3	121.5040	0.066	3	121.4685	0.049	4	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|F<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.5478	0.126	5	121.5026	0.038	8	121.5374	0.044	9	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.7640	0.000	1	121.5026	0.038	8	121.5374	0.044	9	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|Br<1>,1|B<4>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2590	0.052	2	121.5026	0.038	8	121.5374	0.044	9	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]S[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6]S[6])(C[6a]C[6a]H){1|H<1>,2|O<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.8160	0.000	1	121.8160	0.000	1	121.5374	0.044	9	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.7290	0.000	1	121.7290	0.000	1	121.7290	0.000	1	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]N[5a])(C[6a]C[6a,6a]C)(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]N[5a])(C[6a]C[6a,6a]C)(H){5|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){7|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.2380	0.000	1	120.2380	0.000	1	120.0905	0.044	2	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a,6a]N[5a])(C[6a]C[6a,6a]C[5])(H)	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a,6a]N[5a])(C[6a]C[6a,6a]C[5])(H){2|S<2>,5|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]C[3x6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){7|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.9430	0.000	1	119.9430	0.000	1	120.0905	0.044	2	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(B[5a]C[5a,5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(B[5a]C[5a,5a]C[6a])(C[6a]C[6a]H){1|B<3>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.4190	0.000	1	119.4190	0.000	1	119.7070	0.166	2	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(B[5a]N[5a,5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(B[5a]N[5a,5a]C[6a])(C[6a]C[6a]H){1|B<3>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.9950	0.000	1	119.9950	0.000	1	119.7070	0.166	2	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5,5a]C[5,5a]2)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5,5a]C[5,5a]2)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1050	0.000	2	121.1050	0.000	2	120.7752	0.105	5	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5,5a]C[5,5a]2)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5,5a]C[5,5a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4800	0.000	1	120.5553	0.029	3	120.7752	0.105	5	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5,5a]C[5,5a]2)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5,5a]C[5,5a]2)(C[6a]C[6a]H){1|C<4>,1|P<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5930	0.222	2	120.5553	0.029	3	120.7752	0.105	5	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]C)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.2020	0.219	2	119.2020	0.048	2	120.3574	0.469	11	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]H){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9275	0.318	4	120.8413	0.079	6	120.3574	0.469	11	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,2|S<2>}	H(C[6a]C[5a,6a]C[6a])	120.6690	0.000	2	120.8413	0.079	6	120.3574	0.469	11	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]H){1|N<3>,1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3540	0.000	1	120.1597	0.029	3	120.3574	0.469	11	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,5a]C[5a,5a]2)(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.0625	0.043	2	120.1597	0.029	3	120.3574	0.469	11	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6,6a]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4880	0.000	1	120.2570	0.068	5	120.4156	0.091	18	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6,6a]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.8730	0.000	1	120.2570	0.068	5	120.4156	0.091	18	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6,6a]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4015	0.098	2	120.2570	0.068	5	120.4156	0.091	18	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.1210	0.000	1	120.2570	0.068	5	120.4156	0.091	18	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(C[5a,6]N[5a,6,6]N[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]H)(H){1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(C[5a,6]N[5a,6,6]N[6])(C[6a]C[6a]H){1|B<4>,1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5952	0.206	6	120.5952	0.043	6	120.4156	0.091	18	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.0650	0.085	2	120.1720	0.020	4	120.4156	0.091	18	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.3320	0.000	1	120.1720	0.020	4	120.4156	0.091	18	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2260	0.000	1	120.1720	0.020	4	120.4156	0.091	18	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6780	0.000	1	120.6780	0.000	1	120.4156	0.091	18	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]O)(H)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2470	0.000	1	120.2470	0.000	1	120.4156	0.091	18	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a,6]2)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a,6]2)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0110	0.000	1	121.0110	0.000	1	120.4156	0.091	18	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5,5]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5,5]C[6a])(H){1|H<1>,1|N<3>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.1350	0.069	2	120.1350	0.005	2	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5,6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5,6a]C)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5,6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.0270	0.000	1	120.0270	0.000	1	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5,6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5,6a]H)(H){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5,6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4490	0.000	1	120.4490	0.000	1	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]C)(H){1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.1515	0.133	6	119.1515	0.018	6	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4240	0.006	2	120.1375	0.116	23	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.1102	0.344	21	120.1375	0.116	23	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.1600	0.000	1	120.2130	0.006	2	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]H)(H){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.2660	0.000	1	120.2130	0.006	2	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]H)(H){1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.7850	0.160	2	119.7850	0.026	2	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a,6a]H)(H){2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.9420	0.000	1	119.9420	0.000	1	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a]C[6a])(H){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.1960	0.000	1	120.1960	0.000	1	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a]C[6a])(H){1|H<1>,1|N<2>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.3600	0.000	1	119.9421	0.077	20	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a]C[6a])(H){1|H<1>,1|N<3>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.0445	0.115	4	119.9421	0.077	20	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a]C[6a])(H){1|H<1>,1|N<3>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.0901	0.185	7	119.9421	0.077	20	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a]C[6a])(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.8060	0.000	1	119.9421	0.077	20	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a]C[6a])(H){1|H<1>,2|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.2610	0.000	1	119.9421	0.077	20	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[5a]C[6a])(H){1|N<2>,1|N<3>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.6012	0.085	6	119.9421	0.077	20	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6,6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6,6a]C)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.1420	0.000	1	119.7417	0.053	8	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6,6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6,6a]C)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.6660	0.000	1	119.7417	0.053	8	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6,6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6,6a]C)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.6106	0.040	5	119.7417	0.053	8	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6,6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6,6a]C)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.0730	0.000	1	119.7417	0.053	8	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6,6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.1075	0.170	2	120.5212	0.121	6	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6,6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7280	0.144	4	120.5212	0.121	6	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.7605	0.752	2	119.8955	1.334	20	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4220	0.000	1	119.8955	1.334	20	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0300	0.341	3	119.8955	1.334	20	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8670	0.000	1	119.8955	1.334	20	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.3897	0.191	3	119.8955	1.334	20	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H){2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.2840	1.286	10	119.8955	1.334	20	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7750	0.075	5	120.7750	0.006	5	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H){1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.1700	0.218	3	120.1700	0.048	3	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H){1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6250	0.000	1	120.6250	0.000	1	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]N)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]N)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1300	0.000	1	121.1300	0.000	1	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]O)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5500	0.000	1	120.5500	0.000	1	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4683	0.290	3	119.9965	0.164	80	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.9190	0.000	1	119.9965	0.164	80	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.9600	0.351	2	119.9965	0.164	80	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.7803	0.227	12	119.9965	0.164	80	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Fe<5>,1|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.1382	0.714	4	119.9965	0.164	80	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.1417	0.224	10	119.9965	0.164	80	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.1260	0.215	40	119.9965	0.164	80	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.0118	0.650	4	119.9965	0.164	80	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.5148	0.143	4	119.9965	0.164	80	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.9280	0.000	1	119.9280	0.000	1	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]B[5])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]B[5])(H){1|H<1>,1|N<3>,2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|B<3>,1|H<1>,2|C<4>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9050	0.000	1	120.1563	0.432	3	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]B[5])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]B[5])(H){1|H<1>,1|N<3>,2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|B<3>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.7820	0.151	2	120.1563	0.432	3	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.3740	0.000	1	120.3740	0.000	1	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H){1|Br<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5787	0.296	3	121.0754	0.176	91	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4370	0.000	1	121.0754	0.176	91	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|S<4>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8960	0.000	1	121.0754	0.176	91	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2160	0.000	1	121.0754	0.176	91	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1837	0.302	43	121.0754	0.176	91	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2070	0.069	2	121.0754	0.176	91	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|N<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2750	0.000	1	121.0754	0.176	91	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2692	0.200	4	121.0754	0.176	91	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|S<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1262	0.313	4	121.0754	0.176	91	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9766	0.383	23	121.0754	0.176	91	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0437	0.410	3	121.0754	0.176	91	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|Br<1>,1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5343	1.518	3	121.0754	0.176	91	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4730	0.000	1	121.0754	0.176	91	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7410	0.000	1	121.0754	0.176	91	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0240	0.000	1	121.0240	0.000	1	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.1525	0.526	4	120.1525	0.277	4	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.2970	0.000	1	119.3560	0.018	3	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.3855	0.176	2	119.3560	0.018	3	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.2210	0.000	1	119.9474	0.312	357	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.8816	0.501	38	119.9474	0.312	357	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,1|H<1>,2|C<4>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.6850	0.129	3	119.9474	0.312	357	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5855	0.156	2	119.9474	0.312	357	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4042	0.157	5	119.9474	0.312	357	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|S<4>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.7510	0.000	1	119.9474	0.312	357	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.7020	0.000	1	119.9474	0.312	357	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,1|S<4>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5460	0.000	1	119.9474	0.312	357	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.2695	0.424	2	119.9474	0.312	357	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.0746	0.273	8	119.9474	0.312	357	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.7180	0.000	1	119.9474	0.312	357	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|P<3>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.9920	0.069	2	119.9474	0.312	357	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|P<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.7910	0.078	2	119.9474	0.312	357	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.8921	0.524	134	119.9474	0.312	357	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4996	0.604	8	119.9474	0.312	357	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cu<5>,1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.5260	0.136	2	119.9474	0.312	357	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Fe<4>,1|H<1>,2|C<4>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.0123	0.431	15	119.9474	0.312	357	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Ga<3>,1|C<4>,1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.1790	0.048	2	119.9474	0.312	357	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.1055	0.302	12	119.9474	0.312	357	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	H(C[6a]C[5a,6a]C[6a])	119.9413	0.723	3	119.9474	0.312	357	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Li<3>,1|H<1>,2|C<4>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.9425	0.845	2	119.9474	0.312	357	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Ni<4>,1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.7690	0.338	2	119.9474	0.312	357	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Ni<4>,1|H<1>,2|C<4>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.9678	0.149	5	119.9474	0.312	357	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.5300	0.000	1	119.9474	0.312	357	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Pd<4>,1|C<4>,1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.9427	0.132	3	119.9474	0.312	357	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Pd<4>,1|H<1>,2|C<4>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.2850	0.062	2	119.9474	0.312	357	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Pt<4>,1|C<4>,1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.9285	0.165	4	119.9474	0.312	357	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8570	0.000	1	119.9474	0.312	357	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.7695	0.114	2	119.9474	0.312	357	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Ti<6>,1|H<1>,2|C<4>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.5680	0.844	4	119.9474	0.312	357	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Zn<2>,1|H<1>,2|C<4>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.2489	0.262	7	119.9474	0.312	357	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.8084	0.640	25	119.9474	0.312	357	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.1066	0.139	5	119.9474	0.312	357	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.9149	0.922	36	119.9474	0.312	357	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.0057	0.352	3	119.9474	0.312	357	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.5020	0.105	2	119.9474	0.312	357	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.9110	0.000	1	119.9474	0.312	357	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.0403	0.329	4	119.9474	0.312	357	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.3180	0.000	1	119.9474	0.312	357	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.0040	0.000	1	119.9474	0.312	357	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.0700	0.000	1	119.9474	0.312	357	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.8590	0.000	1	119.9474	0.312	357	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|Ru<6>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.2750	0.000	1	119.9474	0.312	357	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.6880	0.000	1	120.3599	0.143	9	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6420	0.136	2	120.3599	0.143	9	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.2160	0.000	1	120.3599	0.143	9	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.0625	0.153	2	120.3599	0.143	9	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6260	0.000	1	120.3599	0.143	9	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>,2|N<2>}	H(C[6a]C[5a,6a]C[6a])	120.8130	0.000	1	120.3599	0.143	9	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4870	0.000	1	120.3599	0.143	9	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|C<4>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.2020	0.000	1	119.5318	0.122	6	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.5978	0.347	5	119.5318	0.122	6	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.1110	0.000	1	120.0775	0.002	2	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.0440	0.000	1	120.0775	0.002	2	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.2920	0.000	1	120.2920	0.000	1	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[5a]O[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[5a]O[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6740	0.000	1	120.6740	0.000	1	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C[5])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C[5])(H){1|H<1>,1|N<3>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.0860	0.119	2	120.0860	0.014	2	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C[6])(H){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.3640	0.200	5	120.2946	0.037	9	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C[6])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C[6])(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.2078	0.166	4	120.2946	0.037	9	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2933	0.194	3	121.1855	0.059	17	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3750	0.264	4	121.1855	0.059	17	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1877	0.138	6	121.1855	0.059	17	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9117	0.172	4	121.1855	0.059	17	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9120	0.000	1	120.9120	0.000	1	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){2|Cl<1>,1|C<4>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2350	0.000	1	121.2350	0.000	1	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]F)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|F<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.9220	0.000	1	121.7365	0.069	2	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|F<1>,1|S<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.5510	0.000	1	121.7365	0.069	2	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]F)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2140	0.115	2	121.6188	0.227	4	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]F)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	122.0235	0.115	2	121.6188	0.227	4	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a,6a]C[6a])(C[5a,6a]N[5a,5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a,6a]C[6a])(C[5a,6a]N[5a,5a]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4113	0.393	3	120.4193	0.098	8	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a,6a]C[6a])(C[5a,6a]N[5a,5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a,6a]C[6a])(C[5a,6a]N[5a,5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4240	0.308	5	120.4193	0.098	8	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a,6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a,6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.9525	0.196	2	119.9525	0.038	2	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4670	0.000	1	120.3982	0.129	9	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6060	0.106	2	120.3982	0.129	9	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.9325	0.091	2	120.3982	0.129	9	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7640	0.000	1	120.3982	0.129	9	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6195	0.353	2	120.3982	0.129	9	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a,6a]N[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.0370	0.000	1	120.3982	0.129	9	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.9128	0.219	5	119.9128	0.048	5	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.7819	0.212	10	119.7819	0.045	10	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.2190	0.000	1	120.4789	0.402	29	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.3290	0.000	1	120.4789	0.402	29	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4941	0.655	27	120.4789	0.402	29	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4760	0.126	3	120.4760	0.016	3	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4130	0.144	3	120.4130	0.021	3	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.2640	0.205	6	120.4948	0.056	19	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6910	0.000	1	120.4948	0.056	19	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5520	0.000	1	120.4948	0.056	19	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5603	0.188	7	120.4948	0.056	19	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5060	0.000	1	120.4948	0.056	19	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7157	0.157	3	120.4948	0.056	19	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5120	0.000	1	120.5120	0.000	1	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.3570	0.676	3	120.3570	0.456	3	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.0920	0.144	2	119.9305	0.062	17	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.2900	0.000	1	119.9305	0.062	17	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.8280	0.000	1	119.9305	0.062	17	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2490	0.000	1	119.9305	0.062	17	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.1160	0.091	2	119.9305	0.062	17	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.7348	0.158	8	119.9305	0.062	17	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.8770	0.000	1	119.9305	0.062	17	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.2810	0.000	1	119.9305	0.062	17	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	122.1300	0.000	1	122.1300	0.000	1	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6320	0.163	3	120.1444	1.276	34	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.1199	0.305	8	120.1444	1.276	34	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.7913	1.633	12	120.1444	1.276	34	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6815	0.380	2	120.1444	1.276	34	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.4255	1.784	2	120.1444	1.276	34	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5195	0.192	2	120.1444	1.276	34	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.8608	0.698	5	120.1444	1.276	34	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.3240	0.000	1	120.3021	0.281	8	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>}	H(C[6a]C[5a,6a]C[6a])	120.9180	0.000	1	120.3021	0.281	8	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4608	0.282	5	120.3021	0.281	8	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.8710	0.000	1	120.3021	0.281	8	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	118.8000	0.682	2	119.4534	0.359	7	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.6107	0.391	3	119.4534	0.359	7	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.8710	0.331	2	119.4534	0.359	7	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4150	0.000	1	120.6405	0.075	20	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.3980	0.000	1	120.6405	0.075	20	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4700	0.000	1	120.6405	0.075	20	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6645	0.315	2	120.6405	0.075	20	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6810	0.000	2	120.6405	0.075	20	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6818	0.178	9	120.6405	0.075	20	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4420	0.000	1	120.6405	0.075	20	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.1300	0.000	1	120.6405	0.075	20	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5635	0.077	2	120.6405	0.075	20	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2385	0.234	4	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3830	0.240	6	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.9550	0.000	1	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|C<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3990	0.000	1	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|C<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2335	0.279	2	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5000	0.000	1	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4608	0.166	4	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3280	0.000	1	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|F<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|N<2>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.1710	0.000	1	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8315	0.329	2	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6810	0.025	2	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7423	0.127	3	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7965	0.262	2	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|B<3>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6490	0.106	3	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2495	0.241	2	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|B<6>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6230	0.597	4	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.3290	0.000	1	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7390	0.000	1	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6022	0.195	4	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3600	0.100	2	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4403	0.045	3	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6045	0.059	2	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6210	0.127	2	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4430	0.000	1	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.3523	1.139	7	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5905	0.262	6	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.2769	0.488	18	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4466	0.586	315	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,1|N<2>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1820	0.000	1	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cu<3>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5820	0.072	2	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cu<4>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.1275	0.268	2	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Fe<4>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3780	0.055	2	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|S<4>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7600	0.254	3	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|S<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.3950	0.000	1	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5282	0.193	4	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2135	0.371	4	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4994	0.192	14	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3852	0.455	5	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,1|S<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4635	0.153	2	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6616	0.374	18	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8544	0.272	11	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6910	0.298	11	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|P<3>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5571	0.091	9	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|P<4>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5809	0.150	22	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Pd<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6080	0.257	4	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Pd<4>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7818	0.281	4	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Pt<4>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.0780	0.000	1	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8260	0.000	1	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5273	0.183	3	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5714	0.193	21	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4150	0.126	2	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Si<4>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4043	0.152	6	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.3741	0.191	14	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4730	0.148	9	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.0415	1.207	94	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4054	0.637	825	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9534	0.195	10	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|I<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.4590	0.000	1	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3060	0.000	1	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3035	0.200	2	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Pd<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5780	0.397	4	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Pt<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8305	0.266	4	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3875	0.268	2	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3671	0.228	8	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.1560	0.294	2	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|N<3>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.1030	0.000	1	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|B<3>,1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.9140	0.000	1	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3696	0.106	5	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5213	0.099	7	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3955	0.212	4	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|Si<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3585	0.076	2	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5120	0.051	2	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6470	0.000	1	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4060	0.000	1	120.4150	0.407	1554	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7018	0.214	4	120.8525	0.135	179	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|F<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9300	0.000	1	120.8525	0.135	179	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|B<3>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5670	0.000	1	120.8525	0.135	179	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|Bi<3>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0720	0.160	2	120.8525	0.135	179	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|Bi<5>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7255	0.156	2	120.8525	0.135	179	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8350	0.000	1	120.8525	0.135	179	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7727	0.400	18	120.8525	0.135	179	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7953	0.173	4	120.8525	0.135	179	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0850	0.000	1	120.8525	0.135	179	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8560	0.000	1	120.8525	0.135	179	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.5481	0.161	10	120.8525	0.135	179	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|N<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2672	0.224	11	120.8525	0.135	179	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0520	0.016	2	120.8525	0.135	179	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8200	0.000	1	120.8525	0.135	179	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|P<3>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9155	0.089	6	120.8525	0.135	179	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7132	0.185	36	120.8525	0.135	179	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|Si<3>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0125	0.182	2	120.8525	0.135	179	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>}	H(C[6a]C[5a,6a]C[6a])	120.6470	0.000	1	120.8525	0.135	179	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9049	0.292	30	120.8525	0.135	179	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7278	0.373	34	120.8525	0.135	179	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|Ir<6>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4105	0.112	2	120.8525	0.135	179	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|Ir<6>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4957	0.197	3	120.8525	0.135	179	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4765	0.770	2	120.8525	0.135	179	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5900	0.000	1	120.8525	0.135	179	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|Pt<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.3017	0.194	3	120.8525	0.135	179	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.1220	0.061	2	120.2002	0.099	100	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.8995	0.224	2	120.2002	0.099	100	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.2181	0.363	10	120.2002	0.099	100	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|F<1>,1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4330	0.000	1	120.2002	0.099	100	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|F<1>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4490	0.171	3	120.2002	0.099	100	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.8435	0.189	2	120.2002	0.099	100	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4515	0.087	2	120.2002	0.099	100	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.0150	0.362	5	120.2002	0.099	100	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|Si<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.2825	0.066	2	120.2002	0.099	100	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.0485	0.203	16	120.2002	0.099	100	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2816	0.325	50	120.2002	0.099	100	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|O<2>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.8660	0.000	1	120.2002	0.099	100	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|Pt<4>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.0168	0.215	4	120.2002	0.099	100	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,5a]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8758	0.123	6	120.8758	0.015	6	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6700	0.000	1	121.0720	0.418	4	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1630	0.000	1	121.0720	0.418	4	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.9470	0.000	1	121.0720	0.418	4	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5080	0.000	1	121.0720	0.418	4	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]O[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.6950	0.255	2	121.6950	0.065	2	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8060	0.000	1	120.8060	0.000	1	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|Br<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0920	0.000	1	121.1977	0.013	3	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2505	0.094	2	121.1977	0.013	3	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6510	0.158	10	120.7028	0.347	32	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6970	0.301	2	120.7028	0.347	32	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|S<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8330	0.000	1	120.7028	0.347	32	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7910	0.000	1	120.7028	0.347	32	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2132	1.302	5	120.7028	0.347	32	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8543	0.021	3	120.7028	0.347	32	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4332	0.409	10	120.7028	0.347	32	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9904	0.210	13	120.9904	0.044	13	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5460	0.000	1	120.4210	0.018	9	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4054	0.135	8	120.4210	0.018	9	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7990	0.000	1	120.7990	0.000	1	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]S[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|S<2>}	C[5a,6a](C[5a,6a]C[5a,6a]S[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4030	0.000	1	120.4030	0.000	1	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0826	0.331	9	121.0637	0.101	10	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8940	0.000	1	121.0637	0.101	10	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4725	0.019	2	120.4725	0.000	2	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7530	0.284	2	120.3517	0.337	31	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.9020	0.000	1	120.3517	0.337	31	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7770	0.078	6	120.3517	0.337	31	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7580	1.637	3	120.3517	0.337	31	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.0191	0.231	14	120.3517	0.337	31	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5710	0.000	1	120.3517	0.337	31	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7510	0.000	1	120.3517	0.337	31	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|S<2>,1|S<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4830	0.000	1	120.3517	0.337	31	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.2440	0.185	2	120.3517	0.337	31	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8110	0.000	1	120.6840	0.071	3	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6205	0.343	2	120.6840	0.071	3	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.1980	0.000	1	119.8910	0.056	21	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.8955	0.121	2	119.8910	0.056	21	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.2340	0.000	1	119.8910	0.056	21	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.8523	0.232	17	119.8910	0.056	21	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a,6a]C[6a])(C[5a,6a]C[5,5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5,5a,6a]C[6a])(C[5a,6a]C[5,5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6280	0.257	2	120.6280	0.066	2	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6,6a]C[6a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6,6a]C[6a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9020	0.000	1	121.0620	0.046	4	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6,6a]C[6a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6,6a]C[6a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1140	0.000	1	121.0620	0.046	4	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6,6a]C[6a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6,6a]C[6a])(C[5a,6a]C[5a,6]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1160	0.322	2	121.0620	0.046	4	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9493	0.048	3	120.9455	0.002	4	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9340	0.000	1	120.9455	0.002	4	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0560	0.000	1	121.0560	0.000	1	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]I)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]I)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|I<1>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4860	0.000	1	120.8783	0.129	6	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]I)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]I)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|I<1>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8270	0.000	1	120.8783	0.129	6	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]I)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]I)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cu<4>,1|I<1>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6880	0.226	2	120.8783	0.129	6	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]I)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]I)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cu<5>,1|I<1>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2905	0.161	2	120.8783	0.129	6	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.4518	0.134	4	121.4518	0.018	4	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.2497	0.338	7	120.4624	0.183	16	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5750	0.437	4	120.4624	0.183	16	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.1995	0.172	2	120.4624	0.183	16	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9837	0.261	3	120.4624	0.183	16	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[5])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[5])(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9750	0.000	1	120.9750	0.000	1	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[5a,5a,6a]C[6a])(C[5a,6a]N[5a,5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[5a])(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a,6a]C[6a])(C[5a,6a]N[5a,5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5320	0.000	1	120.5320	0.000	1	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[5a])(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8065	0.153	2	120.6283	0.221	11	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[5a])(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5919	0.549	8	120.6283	0.221	11	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[5a])(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5630	0.000	1	120.6283	0.221	11	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[6])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[6])(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4850	0.000	1	120.4850	0.000	1	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[6a])(H){1|N<3>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4750	0.105	2	120.4750	0.011	2	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[6a])(H){1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2180	0.000	1	121.2180	0.000	1	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[6a])(H){1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.0590	0.000	1	120.0590	0.000	1	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Pt<4>,1|H<1>,1|O<2>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5170	0.152	3	120.5170	0.023	3	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,1|S<4>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.8190	0.000	1	121.0459	0.250	22	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7257	0.141	3	121.0459	0.250	22	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.5480	0.887	2	121.0459	0.250	22	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0720	0.000	1	121.0459	0.250	22	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9085	0.412	6	121.0459	0.250	22	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1582	0.481	4	121.0459	0.250	22	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3460	0.000	1	121.0459	0.250	22	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4010	0.000	1	121.0459	0.250	22	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>,2|N<2>}	H(C[6a]C[5a,6a]C[6a])	120.3930	0.000	1	121.0459	0.250	22	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Si<4>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9690	0.000	1	121.0459	0.250	22	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|Si<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.6530	0.000	1	121.0459	0.250	22	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.6200	0.171	2	121.1328	0.219	6	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5970	0.074	2	121.1328	0.219	6	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|O<1>,2|C<3>,3|O<2>}	H(C[6a]C[5a,6a]C[6a])	121.1815	0.074	2	121.1328	0.219	6	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4470	0.000	1	120.4470	0.000	1	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.1896	0.306	5	120.0423	0.124	9	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.8582	0.354	4	120.0423	0.124	9	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6980	0.000	1	120.6980	0.000	1	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]P)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]P)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|P<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	118.8700	0.779	2	118.8700	0.607	2	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]P)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]P)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6420	0.182	2	120.6420	0.033	2	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Si)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]Si)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.5755	0.155	8	119.5755	0.024	8	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[5a,6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[5a,6a]C)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.2890	0.000	1	119.6485	0.258	2	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[5a,6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[5a,6a]C)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.0080	0.000	1	119.6485	0.258	2	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.9180	2.287	3	121.0600	3.408	7	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1130	0.000	1	121.0600	3.408	7	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1220	0.000	1	121.0600	3.408	7	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.7155	0.764	2	121.0600	3.408	7	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]H)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|N<2>,1|S<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4730	0.000	1	121.0235	0.177	17	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]H)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7843	0.996	3	121.0235	0.177	17	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]H)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1665	0.274	2	121.0235	0.177	17	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]H)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0218	0.190	11	121.0235	0.177	17	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]O)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2650	0.174	2	121.2830	0.013	4	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]O)(H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3010	0.086	2	121.2830	0.013	4	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]N[6a]O)(H){1|C<4>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.2370	0.000	1	119.2370	0.000	1	120.3888	0.432	2991	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5,6a]H)(H)	C[5a,6a](C[5a,6a]C[5,6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5,6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5,6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.2230	0.000	1	120.1825	0.003	2	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5,6a]H)(H)	C[5a,6a](C[5a,6a]C[5,6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5,6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5,6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.1420	0.000	1	120.1825	0.003	2	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5,6a]H)(H){5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.1597	0.136	3	120.1597	0.019	3	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]C)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	H(C[6a]C[5a,6a]C[6a])	118.8470	0.000	1	118.8470	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3810	0.000	1	120.5220	0.040	2	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6630	0.000	1	120.5220	0.040	2	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.1510	0.000	1	119.6660	0.132	4	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.9105	0.101	2	119.6660	0.132	4	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,1|S<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.6920	0.000	1	119.6660	0.132	4	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[6a]C[5a,6a]C[6a])	120.8240	0.021	2	120.8240	0.000	2	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a]C[6a])(H){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4290	0.000	1	120.1730	0.131	2	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a]C[6a])(H){1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.9170	0.000	1	120.1730	0.131	2	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6,6,6a]H)(H)	C[5a,6a](C[5a,6a]C[6,6,6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6,6,6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6,6,6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6843	0.172	4	120.6843	0.029	4	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6,6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.3080	0.000	1	120.3080	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[6,6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6,6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8250	0.485	2	120.8250	0.235	2	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6,6a]O)(H)	C[5a,6a](C[5a,6a]C[6,6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6,6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.9420	0.000	1	120.9420	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]C)(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]C)(H){1|N<2>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[6a]O[5a])(C[6a]C[6a]H){5|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.0250	0.000	1	120.0250	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]F)(H)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]F)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|F<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3650	0.000	1	121.3650	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5,5a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5,5a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7700	0.000	1	120.7700	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Fe<6>,1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.5710	0.198	2	121.5710	0.039	2	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]O[5a]Si)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|Si<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]O[5a]Si)(C[6a]C[6a]H){1|Si<4>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6260	0.000	1	120.6260	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,5a])(C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,5a])(C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|N<3>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4560	0.086	2	120.4560	0.007	2	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6670	0.047	2	120.6670	0.002	2	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|C<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5590	0.048	2	120.4739	0.058	7	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6315	0.036	2	120.4739	0.058	7	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.1280	0.000	2	120.4739	0.058	7	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6800	0.000	1	120.4739	0.058	7	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.0040	0.000	1	120.2743	0.026	6	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.2320	0.000	1	120.2743	0.026	6	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.3690	0.010	2	120.2743	0.026	6	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.3360	0.168	2	120.2743	0.026	6	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4950	0.000	1	120.3490	0.015	5	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4300	0.000	1	120.3490	0.015	5	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2733	0.081	3	120.3490	0.015	5	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9210	0.000	1	120.9210	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9300	0.000	1	120.7862	0.011	6	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7267	0.059	3	120.7862	0.011	6	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8035	0.121	2	120.7862	0.011	6	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7470	0.000	1	120.6845	0.008	2	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6220	0.000	1	120.6845	0.008	2	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.2310	0.000	1	120.2310	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|O<2>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3170	0.000	1	120.9893	0.029	6	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|O<2>,1|S<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8790	0.000	1	120.9893	0.029	6	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|O<2>,1|S<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0070	0.000	1	120.9893	0.029	6	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|O<2>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9110	0.062	3	120.9893	0.029	6	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.7948	0.566	6	119.7948	0.320	6	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|Cl<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6105	0.100	2	120.6105	0.010	2	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.7723	0.081	3	120.0851	0.126	15	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.2927	0.408	7	120.0851	0.126	15	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.9820	0.156	5	120.0851	0.126	15	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]O)(H)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6770	0.000	1	120.6770	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|C<2>,1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.3830	0.000	1	120.3830	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.9100	2.250	2	119.9100	5.063	2	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|Br<1>,1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2170	0.000	1	120.2170	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.6740	0.000	1	120.0027	0.099	3	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.0320	0.000	1	120.0027	0.099	3	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3020	0.000	1	120.0027	0.099	3	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|C<2>,1|H<1>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.2940	0.000	1	120.2940	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.2510	0.000	1	120.2510	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4811	0.150	9	120.4546	0.025	31	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4062	0.170	16	120.4546	0.025	31	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,1|S<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5312	0.124	4	120.4546	0.025	31	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,1|S<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5700	0.054	2	120.4546	0.025	31	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.5970	0.000	1	119.5970	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8430	0.000	1	120.4540	0.142	3	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.0900	0.000	1	120.4540	0.142	3	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4290	0.000	1	120.4540	0.142	3	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5010	0.000	1	120.5010	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,2|C<3>,3|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.1290	0.000	1	120.1290	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,2|N<2>}	H(C[6a]C[5a,6a]C[6a])	121.6530	0.000	1	121.6530	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]B[5a]C[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]B[5a]C[5a])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[6a]C[5a,6a]C[6a])	121.2620	0.000	1	121.2620	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,6]C[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,6]C[5a])(C[6a]C[6a]H){1|Br<1>,1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4540	0.000	1	121.4540	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8950	0.079	4	120.9824	0.043	5	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|Br<1>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3320	0.000	1	120.9824	0.043	5	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){2|Br<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6520	0.000	1	120.7650	0.026	2	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){2|Br<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8780	0.000	1	120.7650	0.026	2	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|Br<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8670	0.000	1	121.1265	0.186	48	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|Br<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8180	0.000	1	121.1265	0.186	48	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1014	0.138	9	121.1265	0.186	48	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.0860	0.000	1	121.1265	0.186	48	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0426	0.626	14	121.1265	0.186	48	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.7685	0.527	2	121.1265	0.186	48	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1189	0.470	8	121.1265	0.186	48	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0987	0.054	4	121.1265	0.186	48	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2385	0.262	8	121.1265	0.186	48	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.0653	0.885	3	121.3426	0.482	10	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0220	0.000	1	121.3426	0.482	10	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5030	0.000	1	121.3426	0.482	10	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7475	0.161	2	121.3426	0.482	10	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2400	0.000	1	121.3426	0.482	10	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|Br<1>,1|Si<4>,1|C<3>,1|N<3>,1|O<2>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1800	0.000	1	121.3426	0.482	10	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7900	0.000	1	121.3426	0.482	10	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0945	0.487	2	121.1276	0.085	8	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1660	0.000	1	121.1276	0.085	8	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1800	0.000	1	121.1276	0.085	8	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9450	0.000	1	121.1276	0.085	8	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|Br<1>,3|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9585	0.115	2	121.1276	0.085	8	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6240	0.000	1	121.1276	0.085	8	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3095	0.036	2	121.5772	0.302	4	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2890	0.000	1	121.5772	0.302	4	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|Br<1>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.4010	0.000	1	121.5772	0.302	4	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7200	0.000	1	121.0937	0.118	3	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3960	0.000	1	121.0937	0.118	3	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1650	0.000	1	121.0937	0.118	3	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.9190	0.000	1	121.9190	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.5270	0.000	1	121.5270	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.4843	0.134	4	121.4843	0.018	4	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.4663	0.326	6	121.4663	0.106	6	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,2|C<3>,2|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.6303	0.207	4	121.6303	0.043	4	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5955	0.009	2	121.7145	0.037	45	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6899	0.129	14	121.7145	0.037	45	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.9350	0.253	5	121.7145	0.037	45	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.7927	0.083	6	121.7145	0.037	45	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.5373	0.093	10	121.7145	0.037	45	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6347	0.102	4	121.7145	0.037	45	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.9898	0.123	4	121.7145	0.037	45	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7600	0.000	1	120.7600	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.4590	0.000	1	121.4590	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]Cl)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]Cl)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.7560	0.000	1	120.7560	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3450	0.000	1	121.3450	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.7910	0.253	2	120.7910	0.064	2	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.5210	0.000	1	121.5210	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9210	0.000	1	120.8885	0.002	2	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8560	0.000	1	120.8885	0.002	2	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6030	0.000	1	121.6030	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(C[6a]C[5a,6a]C[6a])	121.9820	0.000	1	121.9820	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.9415	0.045	2	121.9415	0.002	2	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C[5])(C[6a]C[6a]H){1|Br<1>,1|Ru<6>,1|C<3>,2|N<3>}	H(C[6a]C[5a,6a]C[6a])	122.3680	0.000	1	122.3680	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8780	0.000	1	120.8780	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6462	0.610	6	120.6281	0.209	10	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ir<8>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[6a]C[5a,6a]C[6a])	120.5395	0.057	2	120.6281	0.209	10	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Os<6>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[6a]C[5a,6a]C[6a])	120.6625	0.008	2	120.6281	0.209	10	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Al)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|Al<4>,1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Al)(C[6a]C[6a]H){1|Al<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5060	0.000	1	120.5060	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6955	0.136	2	120.1385	0.088	35	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6220	0.000	1	120.1385	0.088	35	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.9994	0.201	16	120.1385	0.088	35	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,3|C<4>}	H(C[6a]C[5a,6a]C[6a])	119.6190	0.000	1	120.1385	0.088	35	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.0540	0.000	1	120.1385	0.088	35	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4330	0.000	1	120.1385	0.088	35	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.1655	0.332	2	120.1385	0.088	35	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	119.9625	0.320	2	120.1385	0.088	35	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.3960	0.000	1	120.1385	0.088	35	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.0910	0.120	2	120.1385	0.088	35	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.7460	0.000	1	120.1385	0.088	35	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.0790	0.000	1	120.1385	0.088	35	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,3|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.3740	0.000	1	120.1385	0.088	35	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.1310	0.000	1	120.1385	0.088	35	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2250	0.000	1	120.1385	0.088	35	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.3480	0.000	1	120.1385	0.088	35	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6810	0.000	1	120.3680	0.196	2	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.0550	0.000	1	120.3680	0.196	2	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.0060	0.000	1	120.0060	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8100	0.000	1	120.2425	0.348	19	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.3470	0.000	1	120.2425	0.348	19	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7280	0.000	1	120.2425	0.348	19	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.9450	0.000	1	120.2425	0.348	19	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|P<3>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.3660	0.000	1	120.2425	0.348	19	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.0880	0.000	1	120.2425	0.348	19	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.8390	0.000	1	120.2425	0.348	19	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.3490	0.971	3	120.2425	0.348	19	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4565	0.821	4	120.2425	0.348	19	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,1|P<4>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6090	0.000	1	120.2425	0.348	19	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.7140	0.000	1	120.2425	0.348	19	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.1270	0.000	2	120.2425	0.348	19	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|Ir<6>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.0350	0.000	1	120.2425	0.348	19	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|I<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5080	0.000	1	120.5080	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.0590	0.000	1	120.0590	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.3790	0.083	2	120.3790	0.007	2	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Se)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|Se<2>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Se)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.1830	0.000	1	120.1830	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	122.9790	0.000	1	122.9790	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]O[5a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9500	0.000	1	120.9500	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.0280	0.000	1	120.1483	0.025	4	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.0995	0.090	2	120.1483	0.025	4	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3660	0.000	1	120.1483	0.025	4	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.1120	0.155	3	120.1513	0.022	4	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.2690	0.000	1	120.1513	0.022	4	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>,2|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.9055	0.054	2	120.2282	0.097	10	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>,2|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.1230	0.000	1	120.2282	0.097	10	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.1590	0.000	1	120.2282	0.097	10	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,3|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.2436	0.154	5	120.2282	0.097	10	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9710	0.000	1	120.2282	0.097	10	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.5750	0.000	1	120.5750	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,1|S<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.3670	0.000	1	120.5542	0.054	65	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.2300	0.000	1	120.5542	0.054	65	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.2593	0.365	6	120.5542	0.054	65	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,3|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.5690	0.000	1	120.5542	0.054	65	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5380	0.000	1	120.5542	0.054	65	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){2|C<3>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.5190	0.000	1	120.5542	0.054	65	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.5165	0.152	13	120.5542	0.054	65	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,3|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.7201	0.061	8	120.5542	0.054	65	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5122	0.172	4	120.5542	0.054	65	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){2|C<3>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.6460	0.305	2	120.5542	0.054	65	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.4919	0.140	19	120.5542	0.054	65	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,3|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.8850	0.085	8	120.5542	0.054	65	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){2|C<3>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.8130	0.000	1	120.8130	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.7433	0.474	6	119.7433	0.224	6	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]Cl)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>,3|C<4>}	H(C[6a]C[5a,6a]C[6a])	119.9720	0.000	1	119.9720	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	119.9030	0.000	1	119.9030	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.5530	0.000	1	119.7445	0.073	2	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	H(C[6a]C[5a,6a]C[6a])	119.9360	0.000	1	119.7445	0.073	2	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5940	0.000	1	120.5595	0.128	6	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8100	0.000	1	120.5595	0.128	6	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.0030	0.000	1	120.5595	0.128	6	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6300	0.000	1	120.5595	0.128	6	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){2|C<4>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6600	0.489	2	120.5595	0.128	6	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8340	0.000	1	121.0920	0.055	3	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1500	0.000	1	121.0920	0.055	3	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,2|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2920	0.000	1	121.0920	0.055	3	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4550	0.000	1	120.4550	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|O<2>,2|N<2>}	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.8470	0.000	1	121.8470	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[5])(H){2|C<3>,2|H<1>,3|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.6180	0.000	1	119.6180	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[5])(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5880	0.000	1	120.5880	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[5])(H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.3978	0.221	4	120.4558	0.054	5	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[5])(H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6880	0.000	1	120.4558	0.054	5	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[6])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[6])(H){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.1065	0.161	2	120.1065	0.026	2	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[6])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[6])(H){1|O<2>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.3760	0.013	2	120.5175	0.016	26	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[6])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[6])(H){1|O<2>,1|S<3>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.5535	0.135	8	120.5175	0.016	26	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[6])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[6])(H){1|O<2>,1|S<3>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4642	0.139	6	120.5175	0.016	26	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[6])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[6])(H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.5472	0.113	9	120.5175	0.016	26	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[6])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C[6])(H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5660	0.000	1	120.5175	0.016	26	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1825	0.098	2	121.0938	0.062	20	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.0845	0.127	2	121.0938	0.062	20	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|P<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3400	0.000	1	121.0938	0.062	20	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6140	0.000	1	121.0938	0.062	20	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3420	0.000	1	121.0938	0.062	20	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1506	0.147	5	121.0938	0.062	20	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|S<4>}	H(C[6a]C[5a,6a]C[6a])	120.4580	0.000	1	121.0938	0.062	20	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1265	0.230	6	121.0938	0.062	20	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0750	0.000	1	121.0938	0.062	20	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|Cl<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0510	0.263	2	121.0510	0.069	2	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|Cl<1>,1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1480	0.000	1	121.1480	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|S<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0100	0.000	1	121.0727	0.023	8	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Cl<1>,1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9742	0.099	4	121.0727	0.023	8	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2250	0.097	3	121.0727	0.023	8	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6400	0.000	1	120.6400	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|C<2>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[5a,6a]C[6a])	121.5140	0.000	1	121.5140	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.9050	0.000	1	121.9050	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Se)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|Se<2>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Se)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.7360	0.000	1	121.7360	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]O[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]O[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|F<1>}	H(C[6a]C[5a,6a]C[6a])	121.3230	0.000	1	121.3230	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6898	0.104	9	121.7419	0.018	37	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.7210	0.151	2	121.7419	0.018	37	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.8773	0.064	6	121.7419	0.018	37	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.6170	0.046	9	121.7419	0.018	37	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7740	0.111	8	121.7419	0.018	37	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.9300	0.102	3	121.7419	0.018	37	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6660	0.000	1	120.7600	0.007	3	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8070	0.000	2	120.7600	0.007	3	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]Cl)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.0460	0.000	1	121.0460	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H){1|Cl<1>,1|B<4>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5680	0.000	1	120.5680	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]N)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2640	0.000	1	121.2640	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1425	0.097	2	121.1425	0.009	2	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7410	0.000	1	120.7410	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Cl)(H){1|C<3>,1|C<4>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Cl<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.5950	0.000	1	121.5950	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]B[5a]C[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]B[5a]C[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,2|H<1>,2|O<2>}	H(C[6a]C[5a,6a]C[6a])	121.5980	0.000	1	121.5980	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,1|F<1>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.7087	0.265	3	121.7087	0.070	3	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5113	0.097	3	121.7376	0.236	10	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.5800	0.047	2	121.7376	0.236	10	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|F<1>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	123.0760	0.000	1	121.7376	0.236	10	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|F<1>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.5090	0.000	1	121.7376	0.236	10	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|F<1>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6990	0.165	3	121.7376	0.236	10	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|F<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5590	0.000	1	121.5590	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|F<1>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.5796	0.166	5	121.5796	0.027	5	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|F<1>,1|H<1>,1|P<4>}	H(C[6a]C[5a,6a]C[6a])	121.3550	0.000	1	121.6874	0.078	5	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|F<1>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	122.1330	0.000	1	121.6874	0.078	5	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|F<1>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6535	0.012	2	121.6874	0.078	5	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Pt<5>,1|F<1>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.6420	0.000	1	121.6874	0.078	5	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|F<1>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1500	0.000	1	121.1500	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|F<1>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.9770	0.000	1	121.9770	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,1|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.9930	0.165	3	122.0539	0.022	29	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|F<1>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	122.3080	0.115	2	122.0539	0.022	29	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,1|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.0613	0.079	6	122.0539	0.022	29	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<4>,1|F<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	122.2610	0.000	1	122.0539	0.022	29	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|F<1>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	122.0271	0.127	11	122.0539	0.022	29	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,1|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.0067	0.166	6	122.0539	0.022	29	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|F<1>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.8650	0.000	1	121.8650	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H){1|B<4>,1|F<1>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9545	0.933	2	120.9545	0.870	2	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]N)(C[6a]C[6a]H){1|F<1>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.5890	0.000	1	121.5890	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2380	0.000	1	120.2380	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C[5a])(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.3450	0.000	1	120.3450	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1860	1.056	2	121.1860	1.116	2	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]Si)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]Si)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.1350	0.000	1	120.1140	0.001	2	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]Si)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Si<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]Si)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.0930	0.000	1	120.1140	0.001	2	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]C[5a,5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]C[5a,5a]C)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8060	0.000	2	120.8060	0.000	2	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]C[5a,5a]C[5a])(C[6a]C[6a]H){2|H<1>,2|N<3>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.3335	0.097	2	120.3335	0.009	2	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]C[5a,5a]O)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]C[5a,5a]O)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9600	0.214	6	120.9600	0.046	6	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]N[5a,5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]N[5a,5a]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7600	0.194	2	120.8530	0.045	3	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]N[5a,5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[5a]N[5a,5a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0390	0.000	1	120.8530	0.045	3	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4550	0.051	3	120.4550	0.003	3	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[5a])(C[6a]C[6a]H){1|B<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0690	0.191	2	120.9028	0.041	13	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[5a])(C[6a]C[6a]H){1|B<4>,1|N<2>,1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8875	0.166	2	120.9028	0.041	13	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[5a])(C[6a]C[6a]H){1|B<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8499	0.217	8	120.9028	0.041	13	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[5a])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0250	0.000	1	120.9028	0.041	13	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,1|N<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1588	0.309	6	121.0094	0.050	18	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9347	0.126	12	121.0094	0.050	18	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6030	0.000	1	120.6688	0.047	5	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7370	0.000	1	120.6688	0.047	5	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7105	0.412	2	120.6688	0.047	5	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5830	0.000	1	120.6688	0.047	5	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.2380	0.000	1	120.2380	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5415	0.249	6	120.5415	0.062	6	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0960	0.283	2	120.9491	0.077	21	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9336	0.281	19	120.9491	0.077	21	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9590	0.000	1	120.8390	0.029	2	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7190	0.000	1	120.8390	0.029	2	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]C[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>,2|S<2>}	H(C[6a]C[5a,6a]C[6a])	121.1675	0.204	2	120.8785	0.132	4	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]C[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>,2|S<2>}	H(C[6a]C[5a,6a]C[6a])	120.5895	0.144	2	120.8785	0.132	4	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6595	0.074	2	120.4240	0.093	4	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.1885	0.230	2	120.4240	0.093	4	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0450	0.000	1	121.0450	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a,6a]C)(C[6a]C[6a]H){1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8140	0.000	1	120.8140	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|Cu<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5337	0.204	3	120.5337	0.042	3	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]O[5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0500	0.709	2	121.0170	0.254	3	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]O[5a])(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9510	0.000	1	121.0170	0.254	3	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|Zn<4>,1|N<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9663	0.095	4	120.9152	0.020	5	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7110	0.000	1	120.9152	0.020	5	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7147	0.067	9	120.7147	0.005	9	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.3645	0.175	2	120.3645	0.031	2	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8260	0.098	2	120.9465	0.182	107	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7450	0.000	1	120.9465	0.182	107	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4610	0.000	1	120.9465	0.182	107	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8730	0.000	1	120.9465	0.182	107	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8420	0.000	1	120.9465	0.182	107	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1810	0.003	2	120.9465	0.182	107	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8512	0.209	4	120.9465	0.182	107	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Co<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2508	0.226	17	120.9465	0.182	107	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Co<6>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9793	0.684	15	120.9465	0.182	107	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Cu<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6585	0.428	14	120.9465	0.182	107	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Fe<5>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2467	0.183	4	120.9465	0.182	107	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Fe<6>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0837	0.203	21	120.9465	0.182	107	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Ir<7>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3987	0.306	6	120.9465	0.182	107	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Ni<6>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7135	0.235	2	120.9465	0.182	107	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Pt<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0044	0.364	8	120.9465	0.182	107	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7709	0.343	8	120.9465	0.182	107	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C[6])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5925	0.150	4	120.5925	0.023	4	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0610	0.000	1	121.0610	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Al<5>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4131	0.166	12	121.2342	0.386	715	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|V<5>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2150	0.201	20	121.2342	0.386	715	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|C<3>,1|N<2>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0712	0.454	25	121.2342	0.386	715	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5400	0.000	1	121.2342	0.386	715	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ca<10>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0495	0.006	2	121.2342	0.386	715	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Cd<6>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4544	0.283	14	121.2342	0.386	715	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Cd<6>,1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3820	0.160	2	121.2342	0.386	715	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Co<4>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1095	0.015	2	121.2342	0.386	715	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Co<5>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2477	0.311	19	121.2342	0.386	715	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Co<5>,1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1060	0.000	2	121.2342	0.386	715	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Co<6>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3131	0.287	56	121.2342	0.386	715	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Co<6>,1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1770	0.000	2	121.2342	0.386	715	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Cr<5>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4066	0.281	50	121.2342	0.386	715	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Cr<6>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4525	0.925	4	121.2342	0.386	715	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Cu<4>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3022	0.409	15	121.2342	0.386	715	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Cu<5>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2490	0.112	2	121.2342	0.386	715	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Fe<4>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2377	0.285	29	121.2342	0.386	715	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Fe<5>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3747	0.129	10	121.2342	0.386	715	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Fe<6>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1008	1.303	56	121.2342	0.386	715	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ir<7>,1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7290	0.000	1	121.2342	0.386	715	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ir<8>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1987	0.239	18	121.2342	0.386	715	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Li<4>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4736	1.248	18	121.2342	0.386	715	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Li<5>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4320	0.064	2	121.2342	0.386	715	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Li<5>,1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1443	0.120	3	121.2342	0.386	715	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Mg<5>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1365	0.238	34	121.2342	0.386	715	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Mn<5>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0573	0.650	16	121.2342	0.386	715	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Mn<6>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5666	1.140	8	121.2342	0.386	715	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ni<4>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6991	1.035	9	121.2342	0.386	715	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ni<4>,1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.6625	2.022	4	121.2342	0.386	715	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ni<6>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4175	0.005	2	121.2342	0.386	715	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Pd<4>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2079	0.179	8	121.2342	0.386	715	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Pt<4>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5441	0.519	19	121.2342	0.386	715	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Re<6>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6764	0.288	14	121.2342	0.386	715	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Re<6>,1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2090	0.350	3	121.2342	0.386	715	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ru<5>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2564	0.180	5	121.2342	0.386	715	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ru<6>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2520	0.379	31	121.2342	0.386	715	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ru<7>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3689	0.146	8	121.2342	0.386	715	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ru<7>,1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0750	0.000	1	121.2342	0.386	715	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ru<8>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4117	0.243	4	121.2342	0.386	715	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ru<9>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5000	0.000	1	121.2342	0.386	715	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Sn<4>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2273	0.232	28	121.2342	0.386	715	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Sn<5>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3346	0.200	23	121.2342	0.386	715	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Sn<6>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8561	0.816	26	121.2342	0.386	715	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ti<5>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1246	0.271	8	121.2342	0.386	715	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ti<7>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2556	0.219	8	121.2342	0.386	715	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Zn<4>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3556	0.244	11	121.2342	0.386	715	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Zn<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9667	0.158	4	121.2342	0.386	715	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Zn<5>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2717	0.188	31	121.2342	0.386	715	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Zn<6>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.8235	0.162	2	121.2342	0.386	715	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Zr<8>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5685	1.690	8	121.2342	0.386	715	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2177	0.116	3	121.2342	0.386	715	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|C<3>,1|N<2>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3420	0.000	1	121.2342	0.386	715	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Cd<6>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5490	0.025	2	121.2342	0.386	715	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Co<5>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1840	0.000	2	121.2342	0.386	715	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Co<6>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0020	0.000	2	121.2342	0.386	715	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ir<7>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8090	0.000	1	121.2342	0.386	715	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Li<5>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0690	0.158	3	121.2342	0.386	715	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Li<5>,1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.9590	0.632	2	121.2342	0.386	715	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ni<4>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1530	0.088	4	121.2342	0.386	715	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Re<6>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3993	0.262	3	121.2342	0.386	715	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ru<6>,1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2383	0.196	3	121.2342	0.386	715	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ru<7>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4420	0.000	1	121.2342	0.386	715	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|C<3>,1|N<2>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8750	0.000	1	121.2342	0.386	715	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Fe<6>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2500	0.482	2	121.2342	0.386	715	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Mn<6>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1740	0.014	2	121.2342	0.386	715	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Zn<6>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9630	0.434	2	121.2342	0.386	715	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9500	0.102	2	120.9500	0.010	2	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1310	0.135	5	121.0639	0.030	21	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]O[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0429	0.182	16	121.0639	0.030	21	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]O[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]O[5a]C[5])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|S<2>}	H(C[6a]C[5a,6a]C[6a])	120.6840	0.023	2	120.6840	0.001	2	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]O[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]O[5a]N)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2136	0.071	5	121.2136	0.005	5	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5480	0.000	1	120.8473	0.294	6	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]H){1|C<3>,1|S<1>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7390	0.000	1	120.8473	0.294	6	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9493	0.665	4	120.8473	0.294	6	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3640	0.000	1	120.3640	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]S)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4600	0.000	1	120.4600	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]Si)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]Si)(C[6a]C[6a]H){1|Si<4>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.0855	0.049	2	120.1363	0.005	4	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]Si)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]S[5a]Si)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.1870	0.055	2	120.1363	0.005	4	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	117.6700	0.000	1	117.6700	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[4a]C[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[4a]C[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2020	0.000	1	120.8400	0.098	3	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[4a]C[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[4a]C[5a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6590	0.006	2	120.8400	0.098	3	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,5]C[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,5]C[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5090	0.000	1	120.5766	0.005	5	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,5]C[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,5]C[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5850	0.085	3	120.5766	0.005	5	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,5]C[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,5]C[5a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6190	0.000	1	120.5766	0.005	5	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,6]C[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,6]C[5a])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.9810	0.000	1	120.2850	0.039	5	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,6]C[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,6]C[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|S<2>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2775	0.094	2	120.2850	0.039	5	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,6]C[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,6]C[5a])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4790	0.000	1	120.2850	0.039	5	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,6]C[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,6]C[5a])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4100	0.000	1	120.2850	0.039	5	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.6210	0.000	1	120.4407	0.100	39	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6680	0.000	1	120.4407	0.100	39	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2970	0.000	1	120.4407	0.100	39	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5930	0.241	6	120.4407	0.100	39	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	H(C[6a]C[5a,6a]C[6a])	120.4353	0.225	3	120.4407	0.100	39	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3763	0.204	6	120.4407	0.100	39	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|Cl<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.2930	0.000	1	120.4407	0.100	39	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4770	0.000	1	120.4407	0.100	39	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|N<3>,1|S<4>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5790	0.000	1	120.4407	0.100	39	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|N<3>,1|S<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6270	0.000	1	120.4407	0.100	39	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4230	0.329	5	120.4407	0.100	39	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|O<2>,2|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.1945	0.077	2	120.4407	0.100	39	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6670	0.000	1	120.4407	0.100	39	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){3|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6160	0.000	1	120.4407	0.100	39	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5898	0.128	8	120.4407	0.100	39	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]B[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]B[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2765	0.228	2	120.2765	0.052	2	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7295	0.230	2	120.8853	0.087	15	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9645	0.190	2	120.8853	0.087	15	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9055	0.344	10	120.8853	0.087	15	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8370	0.000	1	120.8853	0.087	15	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2955	0.152	2	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.1890	0.117	3	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3840	0.119	2	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7300	0.000	1	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5060	0.000	1	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|F<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8530	0.000	1	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|F<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6880	0.000	1	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6620	0.280	2	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7608	0.244	5	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4870	0.000	1	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6450	0.000	1	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|S<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8590	0.000	1	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7745	0.100	4	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5760	0.133	2	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7600	0.263	2	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8830	0.000	1	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5270	0.000	1	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.0050	0.000	1	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.1890	0.000	1	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5110	0.000	1	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3900	0.000	1	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|B<3>,1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	112.7220	0.000	1	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5620	0.059	2	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4425	0.125	2	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9030	0.000	1	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7540	0.089	2	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|S<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8200	0.000	1	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5020	0.000	1	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8344	0.312	8	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6397	0.263	3	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2293	0.331	3	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5758	0.220	26	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5392	0.602	135	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6317	0.179	3	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|P<3>,1|P<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7470	0.000	1	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|P<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6456	0.269	5	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|P<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5773	0.105	6	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|S<2>,1|S<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6740	0.000	1	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|S<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3430	0.000	1	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|S<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5267	0.243	9	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5006	0.300	27	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|P<4>}	H(C[6a]C[5a,6a]C[6a])	120.7178	0.191	15	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4878	0.481	234	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6482	0.598	25	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.1120	0.000	1	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Mn<6>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4830	0.000	1	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6235	0.227	2	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Pd<4>,1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6273	0.333	4	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Rh<8>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8240	0.000	1	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5738	0.238	12	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Se<2>,1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7130	0.000	1	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Si<4>,1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6540	0.000	1	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5259	0.394	84	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6056	0.119	8	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3937	0.088	3	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3130	0.000	1	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4695	0.045	2	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8260	0.000	1	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4380	0.000	1	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4420	0.000	1	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2670	0.000	1	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4140	0.079	2	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.1797	0.232	3	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|F<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5110	0.000	1	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.0980	0.000	1	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7780	0.000	1	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.1125	1.177	2	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|N<2>}	H(C[6a]C[5a,6a]C[6a])	120.4660	0.000	1	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4500	0.000	1	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7890	0.000	1	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6332	0.226	28	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6793	0.382	78	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5320	0.000	1	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|S<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6698	0.245	13	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7131	0.257	15	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6410	0.275	105	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9590	0.057	2	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6191	0.302	20	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Ir<6>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4040	0.000	1	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Ir<8>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.1677	0.144	3	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6630	0.000	1	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5490	0.980	3	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Pd<4>,1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9810	0.000	1	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Pd<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6580	0.000	1	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Rh<8>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6690	0.000	1	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8951	0.156	11	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6321	0.403	37	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6073	0.208	3	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3640	0.000	1	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.0430	0.000	1	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2875	0.019	2	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4500	0.000	1	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2050	0.000	1	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8490	0.000	1	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	117.2620	0.000	1	120.5599	0.246	1017	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[3])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[3])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9770	0.000	1	120.9770	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[4])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[4])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6372	0.114	4	120.5706	0.032	5	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[4])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[4])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3040	0.000	1	120.5706	0.032	5	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.9070	0.000	1	120.4598	0.392	162	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|Br<1>,1|S<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4580	0.000	1	120.4598	0.392	162	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0870	0.000	1	120.4598	0.392	162	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4710	0.000	1	120.4598	0.392	162	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6670	0.051	2	120.4598	0.392	162	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4067	0.399	3	120.4598	0.392	162	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.1661	1.075	10	120.4598	0.392	162	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<4>,2|C<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7798	0.098	4	120.4598	0.392	162	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2460	0.000	1	120.4598	0.392	162	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5987	0.318	4	120.4598	0.392	162	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4820	0.208	6	120.4598	0.392	162	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.1750	0.000	1	120.4598	0.392	162	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7460	0.000	2	120.4598	0.392	162	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.3560	0.000	1	120.4598	0.392	162	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4170	0.164	3	120.4598	0.392	162	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6420	0.074	2	120.4598	0.392	162	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3840	0.158	8	120.4598	0.392	162	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4265	0.189	11	120.4598	0.392	162	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.3420	0.126	2	120.4598	0.392	162	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|F<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7650	0.000	1	120.4598	0.392	162	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7450	0.017	2	120.4598	0.392	162	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,5|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5020	0.000	1	120.4598	0.392	162	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4969	0.144	8	120.4598	0.392	162	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4535	0.095	2	120.4598	0.392	162	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|N<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6360	0.000	1	120.4598	0.392	162	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5003	0.077	3	120.4598	0.392	162	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|S<2>,3|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4870	0.000	1	120.4598	0.392	162	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3397	0.674	3	120.4598	0.392	162	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|S<4>,3|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6330	0.000	1	120.4598	0.392	162	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|S<4>,3|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.3030	0.000	1	120.4598	0.392	162	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4846	0.107	11	120.4598	0.392	162	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	118.5670	3.573	3	120.4598	0.392	162	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3121	0.272	7	120.4598	0.392	162	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){3|C<3>,5|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4910	0.000	1	120.4598	0.392	162	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5299	0.319	10	120.4598	0.392	162	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4490	0.000	1	120.4598	0.392	162	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,2|N<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3450	0.000	1	120.4598	0.392	162	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4360	0.000	1	120.4598	0.392	162	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.3580	0.000	1	120.4598	0.392	162	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5620	0.000	1	120.4598	0.392	162	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6920	0.000	1	120.4598	0.392	162	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7034	0.250	12	120.4598	0.392	162	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.0310	0.423	3	120.4598	0.392	162	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4230	0.712	5	120.4598	0.392	162	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.4680	0.246	2	120.4598	0.392	162	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6235	0.175	2	120.4598	0.392	162	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){3|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7490	0.626	9	120.4598	0.392	162	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7735	0.118	2	120.4598	0.392	162	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5090	0.000	1	120.4598	0.392	162	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2910	0.000	1	120.3282	0.545	62	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2840	0.000	1	120.3282	0.545	62	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.9440	0.000	1	120.3282	0.545	62	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3960	0.000	1	120.3282	0.545	62	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6220	0.000	1	120.3282	0.545	62	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,1|S<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9115	0.260	2	120.3282	0.545	62	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|S<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6455	0.127	2	120.3282	0.545	62	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6660	0.000	1	120.3282	0.545	62	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.6055	1.006	2	120.3282	0.545	62	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9030	0.000	1	120.3282	0.545	62	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.0213	1.077	3	120.3282	0.545	62	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3570	0.000	1	120.3282	0.545	62	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4595	0.299	2	120.3282	0.545	62	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6460	0.000	1	120.3282	0.545	62	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6180	0.000	1	120.3282	0.545	62	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2830	0.000	1	120.3282	0.545	62	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4289	0.165	8	120.3282	0.545	62	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4273	0.177	4	120.3282	0.545	62	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5690	0.000	1	120.3282	0.545	62	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,5|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.0708	1.400	6	120.3282	0.545	62	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,5|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3110	0.000	1	120.3282	0.545	62	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7470	0.000	1	120.3282	0.545	62	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.6612	1.783	5	120.3282	0.545	62	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3650	0.000	1	120.3282	0.545	62	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){3|C<3>,5|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3450	0.300	3	120.3282	0.545	62	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2380	0.000	1	120.3282	0.545	62	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6043	0.249	3	120.3282	0.545	62	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4635	0.134	4	120.3282	0.545	62	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){3|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6130	0.144	2	120.3282	0.545	62	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.3540	0.000	1	120.5345	0.083	96	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4410	0.000	1	120.5345	0.083	96	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|B<3>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.9030	0.000	1	120.5345	0.083	96	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0040	0.000	1	120.5345	0.083	96	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5880	0.115	6	120.5345	0.083	96	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7037	0.072	4	120.5345	0.083	96	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|P<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7930	0.000	1	120.5345	0.083	96	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6143	0.117	3	120.5345	0.083	96	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.3404	0.794	7	120.5345	0.083	96	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5280	0.209	15	120.5345	0.083	96	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8410	0.000	1	120.5345	0.083	96	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,1|S<4>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5130	0.000	1	120.5345	0.083	96	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5148	0.122	16	120.5345	0.083	96	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7420	0.000	1	120.5345	0.083	96	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,1|S<4>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.1950	0.000	1	120.5345	0.083	96	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,1|S<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5730	0.038	2	120.5345	0.083	96	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5415	0.200	2	120.5345	0.083	96	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8470	0.000	1	120.5345	0.083	96	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7295	0.185	4	120.5345	0.083	96	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6750	0.000	1	120.5345	0.083	96	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8430	0.000	1	120.5345	0.083	96	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4873	0.240	12	120.5345	0.083	96	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4548	0.229	6	120.5345	0.083	96	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6354	0.116	5	120.5345	0.083	96	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.1140	0.000	1	120.5345	0.083	96	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4200	0.000	1	120.5345	0.083	96	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6430	0.000	1	120.6430	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7230	0.000	1	120.5065	0.299	349	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2605	0.047	2	120.5065	0.299	349	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.1120	0.000	1	120.5065	0.299	349	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|S<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4545	0.016	2	120.5065	0.299	349	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.9870	0.000	1	120.5065	0.299	349	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7655	0.158	2	120.5065	0.299	349	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|P<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5267	0.138	3	120.5065	0.299	349	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4165	0.141	2	120.5065	0.299	349	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4845	0.386	4	120.5065	0.299	349	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2650	0.061	2	120.5065	0.299	349	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|S<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.0030	0.000	1	120.5065	0.299	349	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.3930	0.000	1	120.5065	0.299	349	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Al<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3940	0.010	2	120.5065	0.299	349	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Al<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4965	0.246	4	120.5065	0.299	349	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Al<5>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2798	0.088	4	120.5065	0.299	349	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Au<2>,1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4580	0.000	1	120.5065	0.299	349	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|B<3>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7425	0.015	2	120.5065	0.299	349	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|B<3>,1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3080	0.000	1	120.5065	0.299	349	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|B<4>,1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2260	0.000	1	120.5065	0.299	349	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|B<6>,1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3040	0.119	2	120.5065	0.299	349	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6070	0.000	1	120.5065	0.299	349	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5360	0.133	2	120.5065	0.299	349	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8705	0.021	2	120.5065	0.299	349	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.1551	1.503	10	120.5065	0.299	349	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4257	0.983	10	120.5065	0.299	349	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.8505	0.120	2	120.5065	0.299	349	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|S<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	118.6630	0.000	1	120.5065	0.299	349	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6137	0.234	24	120.5065	0.299	349	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|N<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4160	0.507	3	120.5065	0.299	349	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|P<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5425	0.134	8	120.5065	0.299	349	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|S<2>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.1900	0.000	1	120.5065	0.299	349	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4706	0.122	8	120.5065	0.299	349	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|P<3>}	H(C[6a]C[5a,6a]C[6a])	120.9250	0.017	2	120.5065	0.299	349	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|P<4>}	H(C[6a]C[5a,6a]C[6a])	125.6430	0.000	1	120.5065	0.299	349	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4520	0.000	1	120.5065	0.299	349	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4887	0.206	41	120.5065	0.299	349	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Cu<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3110	0.273	4	120.5065	0.299	349	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5410	0.000	1	120.5065	0.299	349	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|I<1>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7170	0.000	1	120.5065	0.299	349	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Ir<5>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3290	0.000	1	120.5065	0.299	349	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Ir<6>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2860	0.226	2	120.5065	0.299	349	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Ir<8>,1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.9343	0.360	3	120.5065	0.299	349	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Ir<8>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2947	0.352	3	120.5065	0.299	349	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Mg<6>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3253	0.118	6	120.5065	0.299	349	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6136	0.266	14	120.5065	0.299	349	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Ni<4>,1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2292	1.202	6	120.5065	0.299	349	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0040	0.153	2	120.5065	0.299	349	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|P<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6635	0.052	4	120.5065	0.299	349	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6714	0.274	9	120.5065	0.299	349	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4783	0.109	3	120.5065	0.299	349	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Pd<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3903	0.143	3	120.5065	0.299	349	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Pt<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2685	0.459	4	120.5065	0.299	349	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Rh<8>,1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.0070	0.000	1	120.5065	0.299	349	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Rh<8>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6040	0.000	1	120.5065	0.299	349	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Ru<10>,1|C<3>,1|P<5>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4863	0.056	3	120.5065	0.299	349	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Ru<9>,1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.0880	0.000	1	120.5065	0.299	349	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4520	0.000	1	120.5065	0.299	349	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6030	0.249	6	120.5065	0.299	349	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Si<4>,1|C<2>,1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6610	0.013	2	120.5065	0.299	349	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.9657	1.014	3	120.5065	0.299	349	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Si<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5348	0.149	6	120.5065	0.299	349	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Ti<5>,1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4295	0.080	2	120.5065	0.299	349	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4879	0.379	63	120.5065	0.299	349	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5327	0.192	38	120.5065	0.299	349	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|I<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7020	0.000	1	120.7292	0.023	6	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|I<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H){1|C<3>,1|I<1>,1|S<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7460	0.000	1	120.7292	0.023	6	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|I<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7220	0.000	1	120.7292	0.023	6	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|I<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4910	0.000	1	120.7292	0.023	6	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|I<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8570	0.163	2	120.7292	0.023	6	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9070	0.239	2	120.7078	0.527	55	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9530	0.000	1	120.7078	0.527	55	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7210	0.000	1	120.7078	0.527	55	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.3828	0.083	4	120.7078	0.527	55	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0602	0.696	6	120.7078	0.527	55	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2980	0.759	4	120.7078	0.527	55	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4074	0.756	5	120.7078	0.527	55	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|Ru<6>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5440	0.000	1	120.7078	0.527	55	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3539	1.296	9	120.7078	0.527	55	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6110	0.000	1	120.7078	0.527	55	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5970	0.000	1	120.7078	0.527	55	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0520	0.000	1	120.7078	0.527	55	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7670	0.000	1	120.7078	0.527	55	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,1|S<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7753	0.105	3	120.7078	0.527	55	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|Pd<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5577	0.139	3	120.7078	0.527	55	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|Ru<6>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.0320	0.000	1	120.7078	0.527	55	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0490	0.776	2	120.7078	0.527	55	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8262	0.477	9	120.7078	0.527	55	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8170	0.000	1	120.8170	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0860	0.000	1	121.0390	0.083	3	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7310	0.000	1	121.0390	0.083	3	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3000	0.000	1	121.0390	0.083	3	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7210	0.000	1	120.6420	0.042	3	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6025	0.274	2	120.6420	0.042	3	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8650	0.000	1	120.6159	0.332	11	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5520	0.215	2	120.6159	0.332	11	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|Ru<6>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2945	0.874	4	120.6159	0.332	11	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9070	0.229	4	120.6159	0.332	11	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O[5a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1210	0.000	1	121.1210	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]P)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]P)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5820	0.000	1	120.6397	0.062	3	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]P)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]P)(C[6a]C[6a]H){1|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4240	0.000	1	120.6397	0.062	3	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]P)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|P<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]P)(C[6a]C[6a]H){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9130	0.000	1	120.6397	0.062	3	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Pd)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Pd)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.0030	0.000	1	120.0030	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<3>,1|S<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3280	0.000	1	120.7574	0.112	39	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7125	0.308	2	120.7574	0.112	39	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7037	0.171	8	120.7574	0.112	39	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7305	0.168	2	120.7574	0.112	39	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|S<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1010	0.000	1	120.7574	0.112	39	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|S<2>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7360	0.000	1	120.7574	0.112	39	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5610	0.000	1	120.7574	0.112	39	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7834	0.596	7	120.7574	0.112	39	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0370	0.326	3	120.7574	0.112	39	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7100	0.200	3	120.7574	0.112	39	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4345	0.040	2	120.7574	0.112	39	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6130	0.000	1	120.7574	0.112	39	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8075	0.071	2	120.7574	0.112	39	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0040	0.578	2	120.7574	0.112	39	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9210	0.368	2	120.7574	0.112	39	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6230	0.000	1	120.7574	0.112	39	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Se)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Se<2>,1|C<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Se)(C[6a]C[6a]H){1|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4090	0.000	1	120.4090	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Si)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Si)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5198	0.078	6	120.5198	0.006	6	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6,6]C[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6,6]C[5a])(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4970	0.000	1	120.4717	0.025	3	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6,6]C[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6,6]C[5a])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4590	0.219	2	120.4717	0.025	3	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	H(C[6a]C[5a,6a]C[6a])	120.5000	0.000	1	120.6037	0.126	3	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9990	0.000	1	120.6037	0.126	3	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3120	0.000	1	120.6037	0.126	3	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3730	0.000	1	121.3730	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Br)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Br)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5767	0.768	3	120.7570	0.356	5	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Br)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Br)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0275	0.023	2	120.7570	0.356	5	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7900	0.000	1	121.0208	0.071	47	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2105	0.142	2	121.0208	0.071	47	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9353	0.084	3	121.0208	0.071	47	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0470	0.181	3	121.0208	0.071	47	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6410	0.044	2	121.0208	0.071	47	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6a]C[5a,6a]C[6a])	121.3310	0.000	1	121.0208	0.071	47	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0027	0.193	20	121.0208	0.071	47	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0593	0.206	3	121.0208	0.071	47	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9692	0.298	5	121.0208	0.071	47	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9295	0.186	2	121.0208	0.071	47	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6805	0.037	2	121.0208	0.071	47	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5460	0.000	1	121.0208	0.071	47	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6820	0.037	2	121.0208	0.071	47	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0895	0.269	2	121.0895	0.073	2	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5138	0.366	4	120.5312	0.102	5	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6010	0.000	1	120.5312	0.102	5	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6a]C[5a,6a]C[6a])	120.9100	0.041	2	120.8889	1.796	74	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7594	0.112	10	120.8889	1.796	74	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9200	0.000	1	120.8889	1.796	74	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9970	0.935	2	120.8889	1.796	74	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6a]C[5a,6a]C[6a])	120.6910	0.148	4	120.8889	1.796	74	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8461	0.643	15	120.8889	1.796	74	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.5195	1.494	2	120.8889	1.796	74	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	130.4410	0.000	1	120.8889	1.796	74	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|Os<9>,1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8870	0.000	1	120.8889	1.796	74	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|Ru<6>,1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	117.6650	0.000	1	120.8889	1.796	74	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8659	0.711	33	120.8889	1.796	74	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6925	0.015	2	120.8889	1.796	74	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]I)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|I<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]I)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1040	0.000	1	121.1040	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1300	0.000	1	121.3403	0.035	3	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4830	0.000	1	121.3403	0.035	3	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4080	0.000	1	121.3403	0.035	3	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7460	0.000	1	120.4780	0.331	4	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8670	0.000	1	120.4780	0.331	4	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.1495	0.745	2	120.4780	0.331	4	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]P)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|P<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]P)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0210	0.000	1	121.0210	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Pd)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Pd<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Pd)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8500	0.000	1	120.8500	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]S[5a]O)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]S[5a]O)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5870	0.000	1	120.5870	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]B[5,5]C[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]B[5,5]C[5a])(C[6a]C[6a]H){1|N<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6a]C[5a,6a]C[6a])	120.3390	0.000	1	120.3390	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9550	0.000	1	120.9550	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5060	0.000	1	121.5060	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.5120	0.000	1	120.9108	0.199	44	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1350	0.117	2	120.9108	0.199	44	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9200	0.061	6	120.9108	0.199	44	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0015	0.206	2	120.9108	0.199	44	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9447	0.175	8	120.9108	0.199	44	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7955	0.032	2	120.9108	0.199	44	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2640	0.000	1	120.9108	0.199	44	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2540	0.740	2	120.9108	0.199	44	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<1>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2795	0.676	4	120.9108	0.199	44	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5965	0.284	2	120.9108	0.199	44	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1328	0.441	13	120.9108	0.199	44	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8100	0.000	1	120.9108	0.199	44	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0545	0.045	2	121.1057	0.009	3	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2080	0.000	1	121.1057	0.009	3	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7905	0.021	2	120.7745	0.046	17	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6883	0.128	3	120.7745	0.046	17	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2590	0.000	1	120.7745	0.046	17	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|P<3>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9420	0.000	1	120.7745	0.046	17	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0797	0.160	3	120.7745	0.046	17	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7763	0.105	3	120.7745	0.046	17	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6700	0.041	2	120.7745	0.046	17	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7055	0.022	2	120.7745	0.046	17	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2010	0.000	1	121.2010	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6465	0.074	2	120.9106	0.066	78	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0021	0.473	10	120.9106	0.066	78	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7050	0.000	1	120.9106	0.066	78	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Co<4>,1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5360	0.000	1	120.9106	0.066	78	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7920	0.000	1	120.9106	0.066	78	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Ir<8>,1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6500	0.175	2	120.9106	0.066	78	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Sn<4>,1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6587	0.185	4	120.9106	0.066	78	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9428	0.192	57	120.9106	0.066	78	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8455	0.049	2	120.8336	0.178	16	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9728	0.255	8	120.8336	0.178	16	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6440	0.606	6	120.8336	0.178	16	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]P)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|P<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]P)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8380	0.219	3	120.8380	0.048	3	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]P[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|P<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]P[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	H(C[6a]C[5a,6a]C[6a])	120.8920	0.000	1	120.8920	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.3110	0.000	1	121.1562	0.012	4	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1090	0.069	2	121.1562	0.012	4	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0960	0.000	1	121.1562	0.012	4	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]Si)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]Si)(C[6a]C[6a]H){1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5775	0.036	2	120.5775	0.001	2	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0805	0.037	2	121.0805	0.001	2	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3367	0.157	4	121.3608	0.021	5	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4570	0.000	1	121.3608	0.021	5	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]N[5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|F<1>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]N[5a]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2733	0.514	6	121.2733	0.265	6	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|S<2>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5800	0.000	1	120.1332	0.319	16	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3475	0.363	2	120.1332	0.319	16	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3650	0.417	2	120.1332	0.319	16	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.3487	1.011	3	120.1332	0.319	16	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.2970	0.000	1	120.1332	0.319	16	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.1620	0.088	2	120.1332	0.319	16	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.2918	0.077	5	120.1332	0.319	16	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]B)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]B)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.5390	0.000	1	119.5390	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4930	0.000	1	120.2162	0.067	36	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3313	0.233	3	120.2162	0.067	36	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4700	0.000	1	120.2162	0.067	36	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.0312	0.151	8	120.2162	0.067	36	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.9647	0.284	4	120.2162	0.067	36	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.1487	0.098	3	120.2162	0.067	36	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.9200	0.000	1	120.2162	0.067	36	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.1630	0.000	1	120.2162	0.067	36	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3495	0.152	6	120.2162	0.067	36	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Pd<4>,1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3146	0.296	5	120.2162	0.067	36	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3610	0.010	2	120.2162	0.067	36	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|O<2>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7970	0.000	1	120.2162	0.067	36	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2030	0.000	1	120.2873	0.106	36	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|Fe<10>,1|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4375	0.377	2	120.2873	0.106	36	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|Fe<10>,1|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5890	0.000	1	120.2873	0.106	36	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|Fe<10>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.6500	0.000	1	120.2873	0.106	36	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.7740	0.000	1	120.2873	0.106	36	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3536	0.284	24	120.2873	0.106	36	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5720	0.025	2	120.2873	0.106	36	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.9047	0.119	4	120.2873	0.106	36	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3540	0.000	1	120.2737	0.035	3	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|Pt<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.0590	0.000	1	120.2737	0.035	3	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4080	0.000	1	120.2737	0.035	3	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.1290	0.000	1	120.1279	0.057	10	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|F<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.9145	0.062	2	120.1279	0.057	10	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.1583	0.107	4	120.1279	0.057	10	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3300	0.536	2	120.1279	0.057	10	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|O<2>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.0280	0.000	1	120.1279	0.057	10	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6420	0.457	3	120.5708	0.114	5	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4640	0.020	2	120.5708	0.114	5	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|B<4>,1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.9073	0.257	4	120.3349	0.057	50	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3248	0.151	19	120.3349	0.057	50	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|P<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4920	0.000	1	120.3349	0.057	50	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4021	0.227	26	120.3349	0.057	50	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Ir)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Ir<6>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Ir)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.9527	0.675	13	119.9340	0.395	15	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Ir)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Ir<7>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Ir)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.8125	0.145	2	119.9340	0.395	15	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2245	0.317	6	120.2355	0.076	8	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2685	0.152	2	120.2355	0.076	8	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2130	0.000	1	120.5894	0.060	8	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6431	0.208	7	120.5894	0.060	8	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]P)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]P)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2713	0.208	12	120.2471	0.061	16	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]P)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]P)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.1745	0.368	4	120.2471	0.061	16	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]P[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]P[5])(C[6a]C[6a]H){1|C<3>,1|P<4>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.9270	0.000	1	119.9270	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Pd)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Pd)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.5935	0.025	2	119.5935	0.001	2	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Pt)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Pt<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Pt)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.8620	0.000	1	119.8917	0.020	3	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Pt)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Pt<6>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Pt)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.9065	0.197	2	119.8917	0.020	3	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6200	0.000	1	120.2215	0.743	4	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5920	0.000	1	120.2215	0.743	4	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|S<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7420	0.000	1	120.2215	0.743	4	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){2|C<3>,3|S<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|S<2>}	H(C[6a]C[5a,6a]C[6a])	118.9320	0.000	1	120.2215	0.743	4	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Sn)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Sn<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]Sn)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2510	0.232	2	120.2510	0.054	2	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]N[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]N[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8515	0.319	2	120.8515	0.102	2	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5871	0.235	10	120.6449	0.093	22	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5460	0.197	2	120.6449	0.093	22	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7555	0.040	2	120.6449	0.093	22	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.6860	0.000	1	120.6449	0.093	22	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5754	0.193	7	120.6449	0.093	22	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[4,5a]C[6a])(C[5a]C[4,5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[4,5a]C[6a])(C[5a]C[4,5a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.1120	0.000	1	120.1120	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]Br)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]Br)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6810	0.000	1	120.6810	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7260	0.100	2	120.5429	0.363	20	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2720	0.366	12	120.5429	0.363	20	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5885	0.231	2	120.5429	0.363	20	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2920	1.100	3	120.5429	0.363	20	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0900	0.000	1	120.5429	0.363	20	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	H(C[6a]C[5a,6a]C[6a])	119.8910	0.000	1	119.8910	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4825	0.375	4	120.3847	0.081	12	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.3359	0.244	8	120.3847	0.081	12	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]Cl)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]Cl)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6997	0.158	3	120.6997	0.025	3	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4310	0.000	1	120.4250	0.031	16	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4660	0.230	3	120.4250	0.031	16	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3947	0.088	3	120.4250	0.031	16	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5358	0.156	5	120.4250	0.031	16	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){1|Se<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2580	0.027	2	120.4250	0.031	16	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.2960	0.290	2	120.4250	0.031	16	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]O)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9940	0.000	1	120.9940	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]C)(C[6a]C[6a]H){1|B<4>,1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3920	0.000	1	120.4367	0.002	3	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4590	0.042	2	120.4367	0.002	3	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3037	0.429	3	120.3228	0.121	5	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5910	0.000	1	120.3228	0.121	5	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.1120	0.000	1	120.3228	0.121	5	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]N)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2110	0.000	1	120.2110	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]Br)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]Br)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8450	0.042	2	120.8450	0.002	2	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9170	0.000	1	120.4447	0.416	43	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|B<3>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.8678	2.125	4	120.4447	0.416	43	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4529	0.281	15	120.4447	0.416	43	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5011	0.228	14	120.4447	0.416	43	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4540	0.000	1	120.4447	0.416	43	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.3833	0.152	3	120.4447	0.416	43	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8130	0.000	1	120.4447	0.416	43	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6273	0.255	4	120.4447	0.416	43	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2320	0.000	1	120.7427	0.125	6	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4140	0.124	2	120.7427	0.125	6	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7987	0.271	3	120.7427	0.125	6	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4960	0.000	1	120.5252	0.050	38	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7103	0.155	3	120.5252	0.050	38	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.1090	0.000	1	120.5252	0.050	38	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4176	0.178	9	120.5252	0.050	38	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5618	0.240	17	120.5252	0.050	38	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5589	0.193	7	120.5252	0.050	38	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]N)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6914	0.134	7	120.7570	0.025	10	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]N)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9100	0.099	3	120.7570	0.025	10	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<4>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	123.6020	0.000	1	123.6020	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a,6a]C[6a])(C[5a]C[5a,6a,6a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a,6a,6a]C[6a])(C[5a]C[5a,6a,6a]N)(C[6a]C[6a]H){1|C<3>,2|B<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5650	0.000	1	120.5650	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5563	0.253	12	120.4572	0.076	17	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.2194	0.162	5	120.4572	0.076	17	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4790	0.298	2	118.9937	6.663	3	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	116.0230	0.000	1	118.9937	6.663	3	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]Cl)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]Cl)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0460	0.000	1	121.0460	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4090	0.000	1	120.1306	0.153	8	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.0909	0.405	7	120.1306	0.153	8	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.7800	0.000	1	119.7800	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4760	0.598	3	120.4760	0.358	3	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a,6a]O)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6130	0.028	2	120.6130	0.001	2	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,6a]N[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.5595	0.269	2	121.5595	0.073	2	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2570	0.000	1	121.0760	0.061	7	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9430	0.354	3	121.0760	0.061	7	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1135	0.074	2	121.0760	0.061	7	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2190	0.000	1	121.0760	0.061	7	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,1|S<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3630	0.000	1	121.1563	0.023	11	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1100	0.000	1	121.1563	0.023	11	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1384	0.151	9	121.1563	0.023	11	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|B<4>,1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1442	0.126	4	121.1197	0.182	61	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|B<5>,1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8908	0.301	5	121.1197	0.182	61	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1215	0.002	2	121.1197	0.182	61	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9995	0.197	4	121.1197	0.182	61	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8873	0.108	3	121.1197	0.182	61	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2665	0.071	2	121.1197	0.182	61	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Pd<4>,1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0050	0.000	1	121.1197	0.182	61	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Pt<4>,1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0830	0.000	1	121.1197	0.182	61	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Si<4>,1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2760	0.182	25	121.1197	0.182	61	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9889	0.794	14	121.1197	0.182	61	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3765	0.016	2	121.3765	0.000	2	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	H(C[6a]C[5a,6a]C[6a])	120.9755	0.743	2	121.1393	0.357	3	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.4670	0.000	1	121.1393	0.357	3	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0440	0.000	1	121.0440	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]I)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|I<1>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]I)(C[6a]C[6a]H){1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4470	0.000	1	121.4470	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]O)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<1>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]O)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1687	0.033	3	121.1687	0.001	3	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<2>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.5360	1.112	2	121.1107	0.656	4	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6855	0.088	2	121.1107	0.656	4	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(C[5a]N[5a,6]C[6a])(C[6a]C[6a]H){1|B<4>,1|H<1>,1|I<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.6280	0.123	2	121.6280	0.015	2	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|I<1>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7880	0.000	1	120.8580	0.010	2	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|I<1>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9280	0.000	1	120.8580	0.010	2	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|I<1>,2|C<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8950	0.000	1	120.8950	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]O[5a])(C[6a]C[6a]H){1|H<1>,1|I<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3445	0.141	2	121.3445	0.020	2	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H){1|H<1>,2|C<3>,2|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|H<1>,1|I<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3555	0.128	2	121.3555	0.016	2	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|I<1>}	H(C[6a]C[5a,6a]C[6a])	121.4217	0.198	10	121.5476	0.045	40	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|I<1>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.5672	0.265	6	121.5476	0.045	40	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<4>,1|I<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.6930	0.125	8	121.5476	0.045	40	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|H<1>,1|I<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.4264	0.107	8	121.5476	0.045	40	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H){1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|I<1>}	H(C[6a]C[5a,6a]C[6a])	121.5345	0.001	2	121.5476	0.045	40	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H){1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|I<1>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.8305	0.094	4	121.5476	0.045	40	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H){1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|H<1>,1|I<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.4695	0.204	2	121.5476	0.045	40	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){1|C<3>,1|I<1>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.9550	0.000	1	121.9550	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5568	0.546	5	121.0811	1.465	10	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1665	2.528	2	121.0811	1.465	10	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2850	0.000	1	121.0811	1.465	10	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2970	0.000	1	121.0811	1.465	10	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	123.1120	0.000	1	121.0811	1.465	10	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){2|C<3>,2|N<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1480	0.000	1	121.1480	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3960	0.000	1	120.9207	0.189	6	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8687	0.443	3	120.9207	0.189	6	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3990	0.000	1	120.9207	0.189	6	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1230	0.000	1	120.9207	0.189	6	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|H<1>,1|I<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4730	0.000	1	121.4730	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<3>}	H(C[6a]C[5a,6a]C[6a])	121.1990	0.000	1	121.1990	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.4510	0.192	2	121.4510	0.037	2	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Br)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|Br<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Br)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6a]C[5a,6a]C[6a])	122.0140	0.000	1	122.0140	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|N<3>}	H(C[6a]C[5a,6a]C[6a])	123.5590	0.000	1	122.6610	1.613	2	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6a]C[5a,6a]C[6a])	121.7630	0.000	1	122.6610	1.613	2	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6a]C[5a,6a]C[6a])	121.4262	0.516	5	121.4090	0.215	6	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]Cl)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3230	0.000	1	121.4090	0.215	6	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,1|S<4>}	H(C[6a]C[5a,6a]C[6a])	121.1050	0.000	1	121.2661	0.286	14	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6a]C[5a,6a]C[6a])	121.4242	0.463	9	121.2661	0.286	14	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|N<3>}	H(C[6a]C[5a,6a]C[6a])	121.8220	0.000	1	121.2661	0.286	14	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6835	0.582	2	121.2661	0.286	14	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6140	0.000	1	121.2661	0.286	14	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4447	0.310	4	121.4447	0.096	4	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]O[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]O[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[5a,6a]C[6a])	121.7140	0.000	1	121.7140	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.7420	0.000	1	121.7420	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.4430	0.000	1	121.4430	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[6])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4640	0.000	1	120.4640	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0030	0.130	2	121.0030	0.017	2	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0370	0.000	1	121.0370	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5270	0.000	1	121.4507	0.127	13	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Fe<6>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	H(C[6a]C[5a,6a]C[6a])	121.6430	0.322	2	121.4507	0.127	13	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Mn<6>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	H(C[6a]C[5a,6a]C[6a])	122.0580	0.040	2	121.4507	0.127	13	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Zn<6>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	H(C[6a]C[5a,6a]C[6a])	121.4525	0.301	2	121.4507	0.127	13	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2670	0.010	2	121.4507	0.127	13	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|Ni<4>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	H(C[6a]C[5a,6a]C[6a])	121.1227	0.075	4	121.4507	0.127	13	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<2>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<2>}	H(C[6a]C[5a,6a]C[6a])	120.7290	0.000	1	120.8238	0.129	112	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7847	0.238	16	120.8238	0.129	112	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.7220	0.000	1	120.8238	0.129	112	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2970	0.000	1	120.8238	0.129	112	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9450	0.279	2	120.8238	0.129	112	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7711	0.376	38	120.8238	0.129	112	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8669	0.334	27	120.8238	0.129	112	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9375	0.621	6	120.8238	0.129	112	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4480	0.000	1	120.8238	0.129	112	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<4>}	H(C[6a]C[5a,6a]C[6a])	121.2600	0.089	2	120.8238	0.129	112	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8888	0.431	9	120.8238	0.129	112	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6830	0.000	1	120.8238	0.129	112	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7308	0.413	4	120.8238	0.129	112	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0250	0.000	1	120.8238	0.129	112	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<4>}	H(C[6a]C[5a,6a]C[6a])	120.5360	0.000	1	120.8238	0.129	112	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.6130	0.000	1	120.8238	0.129	112	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9850	0.000	1	120.8912	0.008	5	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7740	0.000	1	120.8912	0.008	5	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.8990	0.066	3	120.8912	0.008	5	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0460	0.000	1	120.8245	0.098	2	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6030	0.000	1	120.8245	0.098	2	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,1|P<4>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1160	0.000	1	120.8773	0.037	4	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9340	0.000	1	120.8773	0.037	4	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7860	0.000	1	120.8773	0.037	4	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6730	0.000	1	120.8773	0.037	4	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5490	0.000	1	121.0154	0.784	17	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0350	0.000	1	121.0154	0.784	17	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0230	0.000	1	121.0154	0.784	17	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8540	0.000	1	121.0154	0.784	17	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3690	0.000	1	121.0154	0.784	17	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0388	1.103	11	121.0154	0.784	17	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6a]C[5a,6a]C[6a])	121.0050	0.000	1	121.0154	0.784	17	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4040	0.000	1	121.4040	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]P)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|P<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]P)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1300	0.000	1	121.1300	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1470	0.000	1	121.1470	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Se)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|Se<2>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Se)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2050	0.000	1	121.2050	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.5190	0.000	1	121.5190	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8640	0.000	1	120.8640	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]O[5a]O)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<3>,1|N<3>,1|O<1>,2|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]O[5a]O)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,1|S<4>}	H(C[6a]C[5a,6a]C[6a])	121.0040	0.000	1	121.0040	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2320	0.000	1	121.0691	0.054	9	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6a]C[5a,6a]C[6a])	121.1220	0.000	1	121.0691	0.054	9	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8120	0.000	1	121.0691	0.054	9	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6a]C[5a,6a]C[6a])	121.3070	0.061	2	121.0691	0.054	9	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|O<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2790	0.000	1	121.0691	0.054	9	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6a]C[5a,6a]C[6a])	120.7620	0.000	1	121.0691	0.054	9	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9005	0.148	2	121.0691	0.054	9	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5490	0.000	1	120.7010	0.046	2	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){2|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8530	0.000	1	120.7010	0.046	2	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.0390	0.000	1	121.0390	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5455	0.148	2	120.8958	0.110	5	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1293	0.071	3	120.8958	0.110	5	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0770	0.000	1	121.0770	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<2>,1|O<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	H(C[6a]C[5a,6a]C[6a])	120.1980	0.000	1	120.1980	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8075	0.111	2	120.8075	0.012	2	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8030	0.000	1	120.8030	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){2|O<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5340	0.000	1	120.5340	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(C[5a]C[5a,5a]H)(C[6a]C[6a]H){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.4750	0.000	1	121.4750	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]Cl)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.2620	0.000	1	121.2620	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(C[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5780	0.000	1	120.5780	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5730	0.000	1	120.5730	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]S)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]S)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	117.3760	0.000	1	117.3760	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]S)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]S)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|S<4>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.5565	0.196	2	121.5565	0.038	2	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Se)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Se)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0170	0.000	1	121.0170	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]Cl)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	122.1690	0.000	1	122.1690	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3140	0.000	1	121.3140	0.000	1	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7740	0.000	1	120.8105	0.003	2	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|N<2>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8470	0.000	1	120.8105	0.003	2	120.7712	0.410	4709	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5,6a]H)(H)	C[5a,6a](C[5a,6a]C[5,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5,6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|O<2>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8130	0.000	1	120.8130	0.000	1	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2275	0.136	2	120.5020	0.173	4	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7765	0.445	2	120.5020	0.173	4	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H){1|C<3>,1|C<4>,3|N<2>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|H<1>,1|S<2>}	H(C[6a]C[5a,6a]C[6a])	121.1350	0.072	2	121.1350	0.005	2	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a]C[6a])(H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1330	0.000	1	121.1330	0.000	1	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a]C[6a])(H){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.4490	0.000	1	121.4490	0.000	1	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.8990	0.000	1	121.4155	0.468	2	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|O<2>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9320	0.000	1	121.4155	0.468	2	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(C[6a]C[6a]H)(N[5a]N[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4502	0.293	4	121.4502	0.086	4	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){1|C<4>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	123.1970	0.000	1	121.5066	0.419	9	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2952	0.139	8	121.5066	0.419	9	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.2337	5.101	3	120.2337	26.016	3	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C)(H)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]C)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|O<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7370	0.000	1	120.7370	0.000	1	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2030	0.000	1	121.2205	0.001	2	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2380	0.000	1	121.2205	0.001	2	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9520	0.000	1	121.1865	0.110	2	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.4210	0.000	1	121.1865	0.110	2	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]N)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]N){1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3190	0.000	1	121.0363	0.078	3	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]N)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]N){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8950	0.190	2	121.0363	0.078	3	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]O)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(N[5a]C[5a]O){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.4000	0.000	1	121.4000	0.000	1	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8240	0.000	1	120.8240	0.000	1	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0832	0.395	4	121.0832	0.156	4	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H){1|H<1>,1|P<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7223	0.181	3	120.7223	0.033	3	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|O<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7930	0.000	1	120.7930	0.000	1	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H){1|B<3>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.1566	0.165	5	120.1566	0.027	5	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|Br<1>,1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2030	0.000	1	121.6522	0.089	10	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|Br<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3240	0.000	1	121.6522	0.089	10	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	122.0510	0.000	1	121.6522	0.089	10	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,2|C<3>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.5483	0.071	3	121.6522	0.089	10	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.0105	0.165	2	121.6522	0.089	10	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|Br<1>,1|C<3>,1|H<1>,1|O<2>}	H(C[6a]C[5a,6a]C[6a])	121.6390	0.054	2	121.6522	0.089	10	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|Br<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Br<1>,1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2820	0.000	1	121.7405	0.119	13	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|Br<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Br<1>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6740	0.000	1	121.7405	0.119	13	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|Br<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|Br<1>,1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2310	0.000	1	121.7405	0.119	13	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7546	0.306	7	121.7405	0.119	13	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	122.2200	0.000	1	121.7405	0.119	13	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Br<1>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.9690	0.239	2	121.7405	0.119	13	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|C<4>,1|O<1>}	H(C[6a]C[5a,6a]C[6a])	122.7073	0.103	6	122.7240	0.037	10	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>}	H(C[6a]C[5a,6a]C[6a])	122.5760	0.000	1	122.7240	0.037	10	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	123.1860	0.000	1	122.7240	0.037	10	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|C<4>,1|O<1>}	H(C[6a]C[5a,6a]C[6a])	122.7220	0.000	1	122.7240	0.037	10	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|H<1>,1|O<1>}	H(C[6a]C[5a,6a]C[6a])	122.5120	0.000	1	122.7240	0.037	10	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Br<1>,1|C<3>,1|C<4>,1|O<1>}	H(C[6a]C[5a,6a]C[6a])	122.3757	0.143	3	122.3757	0.021	3	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9000	0.037	2	120.9848	0.170	10	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>,3|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.5770	0.000	1	120.9848	0.170	10	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7420	0.000	1	120.9848	0.170	10	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9513	0.437	3	120.9848	0.170	10	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6140	0.024	2	120.9848	0.170	10	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>,3|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.6470	0.000	1	120.9848	0.170	10	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4650	0.000	1	121.3124	1.126	8	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>,3|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.7770	0.000	1	121.3124	1.126	8	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9930	0.000	1	121.3124	1.126	8	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7650	0.000	1	121.3124	1.126	8	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1710	0.000	1	121.3124	1.126	8	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|H<1>,2|C<3>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	123.7510	0.000	1	121.3124	1.126	8	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Se<2>,1|C<2>,1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3620	0.000	1	121.3124	1.126	8	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2150	0.000	1	121.3124	1.126	8	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]O)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]O){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.9290	0.000	1	120.9290	0.000	1	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9230	0.112	2	120.9185	0.048	4	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|H<1>,3|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.6580	0.000	1	120.9185	0.048	4	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|H<1>,2|C<3>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.1700	0.000	1	120.9185	0.048	4	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1240	0.000	1	121.1240	0.000	1	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]S)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]S){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6a]C[5a,6a]C[6a])	121.0720	0.000	1	121.0720	0.000	1	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|C<4>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.5460	0.000	1	121.5460	0.000	1	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<2>,1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9460	0.000	1	121.2742	0.186	32	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<2>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	122.1000	0.031	2	121.2742	0.186	32	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3890	0.121	8	121.2742	0.186	32	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<4>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.4048	0.068	4	121.2742	0.186	32	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|N<2>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1307	0.227	9	121.2742	0.186	32	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|N<2>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	122.7160	0.000	1	121.2742	0.186	32	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|N<2>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8920	0.127	6	121.2742	0.186	32	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|O<1>,2|C<3>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.6550	0.000	1	121.2742	0.186	32	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[6a]C[5a,6a]C[6a])	120.9383	0.410	3	120.7501	0.385	16	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.0228	0.052	5	120.7501	0.385	16	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4705	0.159	2	120.7501	0.385	16	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5880	0.000	1	120.7501	0.385	16	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	H(C[6a]C[5a,6a]C[6a])	121.0680	0.000	1	120.7501	0.385	16	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.1000	0.000	1	120.7501	0.385	16	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.4150	0.000	1	120.7501	0.385	16	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.4800	0.250	2	120.7501	0.385	16	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2280	0.000	1	120.7710	0.590	2	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<3>,2|C<4>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3140	0.000	1	120.7710	0.590	2	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6a]C[5a,6a]C[6a])	121.1702	0.283	4	121.1702	0.080	4	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|H<1>,1|O<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.5870	0.000	1	121.5870	0.000	1	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C[5])(H){2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>,3|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.2830	0.000	1	121.2830	0.000	1	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C[5])(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	122.1570	0.000	1	122.1570	0.000	1	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.0465	0.253	4	121.9359	0.054	7	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.8030	0.124	2	121.9359	0.054	7	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Cl<1>,1|C<3>,1|S<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7590	0.000	1	121.9359	0.054	7	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Cl<1>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	122.2540	0.000	1	122.2540	0.000	1	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6a]C[5a,6a]C[6a])	121.8890	0.221	3	122.7825	3.226	4	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Cl<1>,1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	125.4630	0.000	1	122.7825	3.226	4	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[5a,6a]C[6a])	123.9830	0.000	1	122.8570	2.536	2	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6a]C[5a,6a]C[6a])	121.7310	0.000	1	122.8570	2.536	2	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]N)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]N){1|Cl<1>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	122.2040	0.000	1	122.2040	0.000	1	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.0860	0.000	1	122.2263	0.016	3	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[5a,6a]C[6a])	122.3290	0.000	1	122.2263	0.016	3	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.2640	0.000	1	122.2263	0.016	3	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	H(C[6a]C[5a,6a]C[6a])	122.3090	0.178	3	122.3090	0.032	3	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	H(C[6a]C[5a,6a]C[6a])	121.8470	0.000	1	122.0853	0.106	3	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	H(C[6a]C[5a,6a]C[6a])	122.2045	0.356	2	122.0853	0.106	3	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.3560	0.000	1	122.3560	0.000	1	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|H<1>,2|C<3>,2|F<1>}	H(C[6a]C[5a,6a]C[6a])	121.9565	0.192	2	122.0512	0.095	4	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.8210	0.000	1	122.0512	0.095	4	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|F<1>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.4710	0.000	1	122.0512	0.095	4	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	122.3480	0.000	1	122.3480	0.000	1	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|F<1>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.1240	0.000	1	122.1240	0.000	1	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|Ir<6>,1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2350	0.000	1	121.4140	0.073	7	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5630	0.235	2	121.4140	0.073	7	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|S<2>,2|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4410	0.364	3	121.4140	0.073	7	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]2){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2140	0.000	1	121.4140	0.073	7	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]B)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]B){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	123.3230	3.046	2	122.2286	3.620	5	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]B)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]B){1|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0490	0.000	1	122.2286	3.620	5	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]B)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]B){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.3960	0.000	1	122.2286	3.620	5	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]B)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]B){1|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0520	0.000	1	122.2286	3.620	5	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|B<3>,1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1610	0.000	1	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0563	0.637	11	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9880	0.000	1	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0655	0.108	4	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3010	0.000	1	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2215	0.028	2	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1830	0.000	1	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.6910	0.000	1	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Si<4>,1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6635	0.071	2	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9570	1.561	3	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|B<3>,1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2610	0.000	1	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0460	0.000	1	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9390	0.105	2	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|B<3>,1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2895	0.317	2	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3105	0.237	2	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|B<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2740	0.000	1	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6760	0.000	1	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5035	0.042	2	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3020	0.194	2	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4045	0.071	2	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4655	0.081	2	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6405	0.577	6	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0847	0.227	3	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.8060	0.000	1	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7300	0.649	4	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|S<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2720	0.000	1	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2463	1.239	98	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1890	0.165	2	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6490	0.000	1	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<2>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1200	0.000	1	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2810	0.000	1	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1435	0.118	2	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3762	0.176	9	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|P<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4590	0.000	1	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|S<2>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3840	0.109	2	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2777	0.172	32	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|H<1>,2|N<2>}	H(C[6a]C[5a,6a]C[6a])	121.3120	0.000	1	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|H<1>,2|N<3>}	H(C[6a]C[5a,6a]C[6a])	121.3895	0.275	2	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3735	0.264	6	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2070	0.000	1	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2512	0.354	46	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|F<1>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1730	0.000	1	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Ir<8>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1197	0.187	3	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5835	1.284	6	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2204	0.190	8	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4473	0.169	3	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|P<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5160	0.000	1	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Pd<4>,1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3555	0.243	2	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Pd<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3980	0.122	3	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Rh<8>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0980	0.000	1	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5980	0.000	1	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Si<4>,1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3921	0.118	9	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3867	0.435	119	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3678	0.365	26	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|I<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2230	0.000	1	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0788	0.433	5	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9910	0.000	1	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1580	0.000	1	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0975	0.190	8	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|S<2>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3820	0.000	1	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2530	0.000	1	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1359	0.143	15	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|P<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2500	0.000	1	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Si<4>,1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1080	0.000	1	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1204	0.269	8	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.6770	0.000	1	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1450	0.000	1	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<2>,1|C<3>,1|I<1>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.8340	0.000	1	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3195	0.052	2	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2355	0.528	4	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9905	0.103	2	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Si<4>,1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1448	0.266	4	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1607	0.045	3	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0880	0.000	1	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2430	0.000	1	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1040	0.000	1	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Br<1>,1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5030	0.000	1	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1260	0.000	1	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|I<1>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5020	0.000	1	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|I<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4260	0.232	2	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4280	0.165	2	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3380	0.440	28	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6520	0.286	5	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4434	0.178	5	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4887	0.209	8	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5159	0.335	12	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Cl<1>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	124.1520	0.000	1	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Ir<8>,1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2830	0.000	1	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Pd<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0600	0.000	1	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6a]C[5a,6a]C[6a])	121.5060	0.000	1	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4695	0.177	17	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.5487	0.433	10	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0400	0.184	2	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<2>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3630	0.000	1	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1731	0.534	15	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2973	0.137	3	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|P<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3180	0.000	1	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9750	0.000	1	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Se<2>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5980	0.000	1	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3273	0.239	3	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7325	0.545	2	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2270	0.000	1	121.3159	0.385	638	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0085	0.302	24	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0010	0.131	4	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1671	0.373	7	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2450	0.045	2	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1275	0.278	16	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0470	0.000	1	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1088	0.237	4	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0565	0.183	20	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|O<2>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3285	0.320	2	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1570	0.000	1	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1297	0.127	3	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4063	0.068	3	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Se<2>,1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4060	0.000	1	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1175	0.320	2	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3880	0.000	1	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2880	0.000	1	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.7490	0.000	1	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1370	0.119	2	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1942	0.255	4	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0089	0.239	9	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	117.7910	0.000	1	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1203	0.085	3	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4352	0.286	4	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8070	0.000	1	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1952	0.189	5	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2670	0.358	5	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|I<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8270	0.262	2	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	118.6883	2.388	3	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9750	0.168	3	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0940	0.000	1	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6830	0.000	1	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1196	0.373	44	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8452	0.234	8	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8075	0.086	2	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2200	0.000	1	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Se<2>,1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2550	0.000	1	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8053	0.974	12	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1970	0.000	1	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2070	0.000	1	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0144	0.145	5	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8530	0.000	1	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1300	0.000	1	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|B<3>,1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2535	0.018	2	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1253	0.127	3	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<2>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1940	0.000	1	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<2>,1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0850	0.000	1	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5890	0.000	1	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.3150	0.000	1	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1424	0.159	5	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4738	0.348	11	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|P<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3968	0.278	5	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4238	0.217	6	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4050	0.049	2	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|S<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2990	0.044	3	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3143	0.271	4	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0752	1.034	323	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|I<1>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6350	0.000	1	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|N<2>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7890	1.039	3	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|N<3>,1|S<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4610	0.087	4	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|N<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5850	0.199	3	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|N<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.9540	0.477	3	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|P<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1710	0.000	1	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|S<2>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9009	0.857	8	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|S<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3795	0.223	2	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2897	0.746	102	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|H<1>,2|S<2>}	H(C[6a]C[5a,6a]C[6a])	121.4220	0.000	1	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3730	0.000	1	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0750	0.256	2	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3199	0.331	101	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0500	1.127	2	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.3750	0.334	2	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Cl<1>,1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3140	0.000	1	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1952	0.453	10	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2765	0.308	8	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2524	0.295	5	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|P<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3570	0.000	1	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2540	0.509	4	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Pd<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.1580	0.000	1	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4645	0.168	2	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|S<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2990	0.000	1	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5130	0.000	1	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2258	0.664	201	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2949	0.263	38	121.1645	0.559	1091	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]N)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]N){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4470	0.000	1	121.5389	0.048	7	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]N)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]N){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3830	0.412	2	121.5389	0.048	7	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]N)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]N){1|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5360	0.000	1	121.5389	0.048	7	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]N)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]N){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6190	0.000	1	121.5389	0.048	7	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]N)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]N){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.6790	0.000	1	121.5389	0.048	7	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]N)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]N){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7250	0.000	1	121.5389	0.048	7	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]O)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]O){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.6800	0.000	1	121.7690	0.016	2	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]O)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]O){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.8580	0.000	1	121.7690	0.016	2	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3000	0.000	1	121.4108	0.027	41	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3725	0.112	4	121.4108	0.027	41	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4067	0.183	21	121.4108	0.027	41	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3553	0.114	3	121.4108	0.027	41	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P){1|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4176	0.192	8	121.4108	0.027	41	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]P){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5265	0.083	4	121.4108	0.027	41	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3410	0.088	2	121.5019	0.120	208	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0770	0.000	1	121.5019	0.120	208	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3890	0.000	1	121.5019	0.120	208	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.4640	0.000	1	121.5019	0.120	208	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1465	0.018	2	121.5019	0.120	208	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5000	0.013	2	121.5019	0.120	208	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.1423	1.595	3	121.5019	0.120	208	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2700	0.000	1	121.5019	0.120	208	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4672	0.150	13	121.5019	0.120	208	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4795	0.255	6	121.5019	0.120	208	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<2>,1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5970	0.000	1	121.5019	0.120	208	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3820	0.147	2	121.5019	0.120	208	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,1|I<1>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4240	0.000	1	121.5019	0.120	208	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4344	0.169	9	121.5019	0.120	208	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6248	0.504	30	121.5019	0.120	208	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2750	0.000	1	121.5019	0.120	208	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|N<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4710	0.067	4	121.5019	0.120	208	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4529	0.198	28	121.5019	0.120	208	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,2|H<1>,2|I<1>}	H(C[6a]C[5a,6a]C[6a])	121.0880	0.000	1	121.5019	0.120	208	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4371	0.277	45	121.5019	0.120	208	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|Cl<1>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3500	0.000	1	121.5019	0.120	208	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6478	0.235	4	121.5019	0.120	208	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6047	0.178	3	121.5019	0.120	208	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5970	0.227	23	121.5019	0.120	208	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.5728	0.339	18	121.5019	0.120	208	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9170	0.000	1	121.5019	0.120	208	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2765	0.053	2	121.5019	0.120	208	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2675	0.105	2	121.5019	0.120	208	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5580	0.129	2	121.6740	0.126	63	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	H(C[6a]C[5a,6a]C[6a])	121.8450	0.000	1	121.6740	0.126	63	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	H(C[6a]C[5a,6a]C[6a])	121.9630	0.000	1	121.6740	0.126	63	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|O<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5450	0.000	1	121.6740	0.126	63	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5240	0.165	2	121.6740	0.126	63	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Pd<4>,1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.6660	0.000	1	121.6740	0.126	63	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6711	0.291	22	121.6740	0.126	63	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Br<1>,1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5860	0.000	1	121.6740	0.126	63	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6889	0.629	9	121.6740	0.126	63	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<2>}	H(C[6a]C[5a,6a]C[6a])	121.8100	0.334	2	121.6740	0.126	63	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Cl<1>,1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3808	0.123	5	121.6740	0.126	63	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4223	0.175	3	121.6740	0.126	63	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Cl<1>,1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4330	0.000	1	121.6740	0.126	63	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.8250	0.297	4	121.6740	0.126	63	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7515	0.198	6	121.6740	0.126	63	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.8050	0.000	1	121.6740	0.126	63	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.8890	0.000	1	121.6740	0.126	63	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0735	0.456	4	121.5445	0.294	17	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|Cl<1>,1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4930	0.000	1	121.5445	0.294	17	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2745	0.271	2	121.5445	0.294	17	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6553	0.065	3	121.5445	0.294	17	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|C<3>,1|O<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8810	0.000	1	121.5445	0.294	17	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.8140	0.000	1	121.5445	0.294	17	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6873	0.119	3	121.5445	0.294	17	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.5990	0.325	2	121.5445	0.294	17	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]N)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]N){1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7630	0.000	1	121.7630	0.000	1	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]S[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]S[5a]C){1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0710	0.000	1	121.0710	0.000	1	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3810	0.000	1	121.3810	0.000	1	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	123.3600	1.054	2	123.3600	1.110	2	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|B<3>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8605	0.045	2	120.9884	0.095	177	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Br<1>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7910	0.000	1	120.9884	0.095	177	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8951	0.138	17	120.9884	0.095	177	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|C<3>,1|C<4>,1|C<5>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1243	0.619	4	120.9884	0.095	177	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|C<3>,1|C<4>,1|C<6>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0245	0.019	2	120.9884	0.095	177	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0411	0.146	8	120.9884	0.095	177	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0620	0.331	53	120.9884	0.095	177	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Co<3>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9845	0.472	8	120.9884	0.095	177	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Co<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9415	0.069	2	120.9884	0.095	177	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Ir<5>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7656	0.287	16	120.9884	0.095	177	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Ir<5>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8390	0.246	2	120.9884	0.095	177	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Ni<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0236	0.152	18	120.9884	0.095	177	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1779	0.253	14	120.9884	0.095	177	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9668	0.085	6	120.9884	0.095	177	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Pt<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9640	0.000	1	120.9884	0.095	177	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Rh<5>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9928	0.241	6	120.9884	0.095	177	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Ru<5>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2350	0.148	2	120.9884	0.095	177	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Ru<7>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8390	0.460	2	120.9884	0.095	177	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Ru<8>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7858	0.652	6	120.9884	0.095	177	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Co<5>,1|Co<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7020	0.020	2	120.9884	0.095	177	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Ru<7>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8860	0.215	2	120.9884	0.095	177	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){2|Ru<9>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9580	0.000	1	120.9884	0.095	177	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<5>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Co<5>,1|Co<6>,1|C<3>,1|C<4>,1|H<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8725	0.053	2	120.9884	0.095	177	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H){1|B<3>,1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9900	0.233	4	120.8536	0.039	16	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H){1|B<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8887	0.075	3	120.8536	0.039	16	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9580	0.004	2	120.8536	0.039	16	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0260	0.000	1	120.8536	0.039	16	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|N<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H){2|Li<4>,1|B<3>,1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7480	0.000	1	120.8536	0.039	16	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]B[5a]H){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6684	0.159	5	120.8536	0.039	16	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.9740	0.253	2	121.7094	0.058	13	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3600	0.000	1	121.7094	0.058	13	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6970	0.130	2	121.7094	0.058	13	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|O<1>,1|S<2>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5005	0.107	4	121.7094	0.058	13	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<2>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.9210	0.148	2	121.7094	0.058	13	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]2){1|N<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.8380	0.006	2	121.7094	0.058	13	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7643	0.231	55	121.5727	0.485	412	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.3210	0.000	1	121.5727	0.485	412	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|I<1>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.9610	0.000	1	121.5727	0.485	412	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3350	0.000	1	121.5727	0.485	412	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.8842	0.266	5	121.5727	0.485	412	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|P<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7150	0.000	1	121.5727	0.485	412	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7142	2.930	9	121.5727	0.485	412	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7526	0.658	75	121.5727	0.485	412	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Cl<1>,1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7240	0.178	4	121.5727	0.485	412	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.8130	0.088	2	121.5727	0.485	412	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Se<2>,1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3675	0.709	6	121.5727	0.485	412	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Si<4>,1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5722	0.146	6	121.5727	0.485	412	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6311	0.546	107	121.5727	0.485	412	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2109	0.756	34	121.5727	0.485	412	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4148	0.330	13	121.5727	0.485	412	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.5210	0.000	1	121.5727	0.485	412	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|H<1>,1|O<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.5020	0.000	1	121.5727	0.485	412	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0876	0.940	9	121.5727	0.485	412	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9460	0.880	3	121.5727	0.485	412	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3070	0.000	1	121.5727	0.485	412	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|S<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7930	0.000	1	121.5727	0.485	412	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6613	0.127	3	121.5727	0.485	412	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4938	0.211	4	121.5727	0.485	412	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2485	0.842	2	121.5727	0.485	412	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6830	0.188	23	121.5727	0.485	412	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2060	0.564	2	121.5727	0.485	412	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2512	0.172	5	121.5727	0.485	412	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Cl<1>,1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2610	0.000	1	121.5727	0.485	412	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5660	0.000	1	121.5727	0.485	412	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9770	0.452	3	121.5727	0.485	412	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7925	0.107	4	121.5727	0.485	412	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5790	0.004	2	121.5727	0.485	412	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.8410	0.000	1	121.5727	0.485	412	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7279	0.259	8	121.5727	0.485	412	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4382	0.532	4	121.5727	0.485	412	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0902	0.691	6	121.5727	0.485	412	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4537	0.274	3	121.5727	0.485	412	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3390	0.000	1	121.5727	0.485	412	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.9043	0.329	3	121.5727	0.485	412	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6830	0.000	1	121.5656	0.295	370	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|O<1>,1|S<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1510	0.000	1	121.5656	0.295	370	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4215	0.151	2	121.5656	0.295	370	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3710	0.001	2	121.5656	0.295	370	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3550	0.349	2	121.5656	0.295	370	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7610	0.000	1	121.5656	0.295	370	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1820	0.000	1	121.5656	0.295	370	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6a]C[5a,6a]C[6a])	121.1640	0.091	2	121.5656	0.295	370	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6312	0.525	108	121.5656	0.295	370	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5538	0.423	6	121.5656	0.295	370	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5896	0.363	40	121.5656	0.295	370	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6412	0.193	12	121.5656	0.295	370	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|S<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3820	1.878	2	121.5656	0.295	370	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2590	0.704	10	121.5656	0.295	370	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.8060	0.000	1	121.5656	0.295	370	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6434	0.495	144	121.5656	0.295	370	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2934	0.413	17	121.5656	0.295	370	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.6070	0.000	1	121.5656	0.295	370	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|O<1>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3455	0.012	2	121.5656	0.295	370	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2620	0.000	1	121.5656	0.295	370	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0535	1.106	14	121.5656	0.295	370	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]N)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]N){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.2300	0.000	1	122.2300	0.000	1	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]P)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|P<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]P){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.8162	0.098	5	121.7472	0.036	6	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]P)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|P<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]P){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4020	0.000	1	121.7472	0.036	6	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5530	0.129	2	121.6645	0.056	6	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|O<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.1120	0.000	1	121.6645	0.056	6	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6940	0.000	1	121.6645	0.056	6	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5850	0.000	1	121.6645	0.056	6	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]S){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4900	0.000	1	121.6645	0.056	6	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]2)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]2){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.2185	0.162	2	122.2185	0.026	2	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.0139	0.357	141	122.0243	0.123	171	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	122.4680	0.000	1	122.0243	0.123	171	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.0598	0.314	29	122.0243	0.123	171	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.9766	0.259	17	121.9766	0.067	17	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]O)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]O){1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.2050	0.271	12	122.2050	0.073	12	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]S)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<4>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]S){1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.2120	0.050	4	122.2120	0.002	4	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|B<3>,1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1140	0.000	1	121.2487	0.014	3	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]B[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]B[5a]C){1|Pt<4>,1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3160	0.008	2	121.2487	0.014	3	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]B[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|O<2>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]B[5a]H){1|B<3>,1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8310	0.000	1	120.8310	0.000	1	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.9528	0.237	5	121.8070	0.138	23	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|I<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7710	0.000	1	121.8070	0.138	23	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7040	0.150	2	121.8070	0.138	23	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7746	0.435	15	121.8070	0.138	23	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5270	0.000	1	121.7267	0.044	3	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7090	0.000	1	121.7267	0.044	3	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|Si<4>,1|C<3>,1|H<1>,1|O<1>}	H(C[6a]C[5a,6a]C[6a])	121.9440	0.000	1	121.7267	0.044	3	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9258	0.156	6	120.8375	0.037	12	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7492	0.196	6	120.8375	0.037	12	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9235	0.282	2	120.9235	0.080	2	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[5a,6a]C[6a])	123.7440	0.000	1	122.5696	0.510	5	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.2760	0.325	4	122.5696	0.510	5	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.9825	0.110	2	121.9825	0.012	2	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<3>,1|N<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6860	0.000	1	121.6860	0.000	1	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Br<1>,1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[5a,6a]C[6a])	122.4747	0.369	3	122.3723	0.190	18	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6a]C[5a,6a]C[6a])	121.4560	0.000	1	122.3723	0.190	18	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.3946	0.163	5	122.3723	0.190	18	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[5a,6a]C[6a])	122.2387	0.315	4	122.3723	0.190	18	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Br<1>,1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[5a,6a]C[6a])	122.7105	0.104	2	122.3723	0.190	18	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|H<1>,2|N<3>}	H(C[6a]C[5a,6a]C[6a])	122.3910	0.000	1	122.3723	0.190	18	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	123.3510	0.000	1	122.3723	0.190	18	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	H(C[6a]C[5a,6a]C[6a])	121.7310	0.000	1	122.3723	0.190	18	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.9697	0.430	3	121.9697	0.185	3	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]S)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|N<2>,1|N<3>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]S){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.9370	0.000	1	121.9370	0.000	1	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	H(C[6a]C[5a,6a]C[6a])	122.5585	0.218	2	122.5806	0.123	8	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.7498	0.407	4	122.5806	0.123	8	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6a]C[5a,6a]C[6a])	122.2310	0.000	1	122.5806	0.123	8	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.2980	0.000	1	122.5806	0.123	8	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6a]C[5a,6a]C[6a])	120.4210	0.000	1	122.0105	0.458	8	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	122.6880	0.000	1	122.0105	0.458	8	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6a]C[5a,6a]C[6a])	122.1625	0.128	6	122.0105	0.458	8	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6])(H){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1010	0.000	1	121.1010	0.000	1	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]S)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6])(H){1|H<1>,1|N<2>,1|S<4>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]S){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5280	0.000	1	121.5280	0.000	1	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6])(H){1|F<1>,1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1060	0.000	1	121.1235	0.001	2	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6])(H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1410	0.000	1	121.1235	0.001	2	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3640	0.000	1	121.4399	0.046	7	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2870	0.000	1	121.4399	0.046	7	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2830	0.000	1	121.4399	0.046	7	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3870	0.000	1	121.4399	0.046	7	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.6420	0.000	1	121.4399	0.046	7	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2860	0.000	1	121.4399	0.046	7	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|H<1>,2|C<3>,2|O<2>}	H(C[6a]C[5a,6a]C[6a])	121.8300	0.000	1	121.4399	0.046	7	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.7350	0.000	1	121.4085	0.213	2	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|O<2>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]S){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0820	0.000	1	121.4085	0.213	2	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	122.4470	0.023	2	122.4470	0.001	2	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]O[5a]S)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|S<4>,2|C<3>,2|O<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]O[5a]S){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(C[6a]C[5a,6a]C[6a])	121.5660	0.000	1	121.5660	0.000	1	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	H(C[6a]C[5a,6a]C[6a])	121.9147	0.140	3	121.9135	0.013	4	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|O<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.9100	0.000	1	121.9135	0.013	4	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6a]C[5a,6a]C[6a])	121.8000	0.088	3	122.0490	0.181	8	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	H(C[6a]C[5a,6a]C[6a])	123.0350	0.000	1	122.0490	0.181	8	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>,1|O<2>,1|S<2>}	H(C[6a]C[5a,6a]C[6a])	121.8390	0.000	1	122.0490	0.181	8	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>,1|O<2>,1|S<3>}	H(C[6a]C[5a,6a]C[6a])	122.1280	0.000	2	122.0490	0.181	8	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.8620	0.000	1	122.0490	0.181	8	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|O<2>}	H(C[6a]C[5a,6a]C[6a])	123.0483	0.122	3	123.0483	0.015	3	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|C<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|C<3>,2|O<2>}	H(C[6a]C[5a,6a]C[6a])	122.7200	0.000	1	122.7200	0.000	1	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]S)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]S)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|H<1>,1|S<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.4865	0.127	2	121.4865	0.016	2	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]S)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]S)(H){1|C<4>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|S<2>}	H(C[6a]C[5a,6a]C[6a])	121.1810	0.078	2	121.1810	0.006	2	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]S)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]S)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	H(C[6a]C[5a,6a]C[6a])	121.5723	0.095	3	121.5723	0.009	3	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(H){2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>}	H(C[6a]C[5a,6a]C[6a])	120.9553	0.252	6	120.9553	0.064	6	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl)(H){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>}	H(C[6a]C[5a,6a]C[6a])	123.1745	0.117	2	123.1745	0.014	2	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|N<2>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.9780	0.024	2	121.9780	0.001	2	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|C<3>,1|N<2>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.2560	0.000	1	122.2560	0.000	1	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H){1|C<3>,1|C<4>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Cl<1>,1|H<1>,1|N<2>}	H(C[6a]C[5a,6a]C[6a])	122.5490	0.000	1	122.5490	0.000	1	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]O[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]O[6a]C)(H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.3150	0.000	1	121.3150	0.000	1	121.3998	0.483	3633	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[4,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[4,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[4,5a]C[4,5a]C[4])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[4,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[4,5a]C[4,5a]C[4])(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1380	0.000	1	121.1380	0.000	1	121.1380	0.000	1	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6640	0.000	1	121.6640	0.000	1	121.4823	0.439	88	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<2>,2|C<3>,2|N<2>}	H(C[6a]C[5a,6a]C[6a])	121.6520	0.000	1	121.6520	0.000	1	121.4823	0.439	88	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]Cl)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.6230	0.000	1	122.6230	0.000	1	121.4823	0.439	88	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]B[5a]C[6a])(N[5,5a]N[5,5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|B<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]B[5a]C[6a])(N[5,5a]N[5,5a]C[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.4622	0.061	4	121.4622	0.004	4	121.4823	0.439	88	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0880	0.000	1	121.3855	0.137	58	121.4823	0.439	88	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1520	0.000	1	121.3855	0.137	58	121.4823	0.439	88	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6620	0.000	1	121.3855	0.137	58	121.4823	0.439	88	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4440	0.023	2	121.3855	0.137	58	121.4823	0.439	88	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6600	0.000	1	121.3855	0.137	58	121.4823	0.439	88	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2750	0.000	1	121.3855	0.137	58	121.4823	0.439	88	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4780	0.236	2	121.3855	0.137	58	121.4823	0.439	88	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4637	0.319	3	121.3855	0.137	58	121.4823	0.439	88	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1900	0.000	1	121.3855	0.137	58	121.4823	0.439	88	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3884	0.130	5	121.3855	0.137	58	121.4823	0.439	88	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2293	0.116	3	121.3855	0.137	58	121.4823	0.439	88	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9633	1.171	3	121.3855	0.137	58	121.4823	0.439	88	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2827	0.190	10	121.3855	0.137	58	121.4823	0.439	88	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2700	0.061	3	121.3855	0.137	58	121.4823	0.439	88	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3270	0.000	1	121.3855	0.137	58	121.4823	0.439	88	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4590	0.000	1	121.3855	0.137	58	121.4823	0.439	88	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1530	0.000	1	121.3855	0.137	58	121.4823	0.439	88	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7330	0.182	2	121.3855	0.137	58	121.4823	0.439	88	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.9440	0.000	1	121.3855	0.137	58	121.4823	0.439	88	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6660	0.000	1	121.3855	0.137	58	121.4823	0.439	88	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6955	0.059	2	121.3855	0.137	58	121.4823	0.439	88	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.9090	0.000	1	121.3855	0.137	58	121.4823	0.439	88	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5020	0.000	1	121.3855	0.137	58	121.4823	0.439	88	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.5010	0.000	1	121.3855	0.137	58	121.4823	0.439	88	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.3810	0.000	1	121.3855	0.137	58	121.4823	0.439	88	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5945	0.146	2	121.3855	0.137	58	121.4823	0.439	88	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){2|Se<2>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4550	0.054	2	121.3855	0.137	58	121.4823	0.439	88	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|B<4>,1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3495	0.209	2	121.3855	0.137	58	121.4823	0.439	88	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1610	0.000	1	121.3855	0.137	58	121.4823	0.439	88	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2810	0.000	1	121.3855	0.137	58	121.4823	0.439	88	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.8770	0.000	1	121.6814	1.313	22	121.4823	0.439	88	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2290	1.921	2	121.6814	1.313	22	121.4823	0.439	88	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3565	0.179	2	121.6814	1.313	22	121.4823	0.439	88	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.8800	0.000	1	121.6814	1.313	22	121.4823	0.439	88	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.0760	0.000	1	121.6814	1.313	22	121.4823	0.439	88	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9762	1.399	6	121.6814	1.313	22	121.4823	0.439	88	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7020	0.000	1	121.6814	1.313	22	121.4823	0.439	88	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|S<2>,2|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7490	0.089	2	121.6814	1.313	22	121.4823	0.439	88	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.0410	0.055	3	121.6814	1.313	22	121.4823	0.439	88	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|S<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.3050	0.000	1	121.6814	1.313	22	121.4823	0.439	88	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|S<2>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7510	0.000	1	121.6814	1.313	22	121.4823	0.439	88	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|N<2>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|N<3>,1|S<1>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	124.7510	0.000	1	121.6814	1.313	22	121.4823	0.439	88	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5,5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5,5a]C[5,5a]C[5])(C[6a]C[6a]H){1|C<3>,1|S<2>,2|H<1>,2|N<2>}	H(C[6a]C[5a,6a]C[6a])	121.3040	0.000	1	121.3040	0.000	1	121.4823	0.439	88	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a,6a]H)(H){1|B<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8230	0.000	1	120.8230	0.000	1	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a,6a]H)(H){1|B<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2883	0.181	3	121.2883	0.033	3	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1850	0.000	1	121.1850	0.000	1	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|Br<1>,1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.7130	0.000	1	122.7715	0.007	2	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	122.8300	0.000	1	122.7715	0.007	2	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7025	0.370	2	121.1130	0.153	10	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.5060	0.153	4	121.1130	0.153	10	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]C)(H){1|C<4>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|N<2>}	H(C[6a]C[5a,6a]C[6a])	120.7800	0.000	1	121.1130	0.153	10	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]C)(H){1|C<4>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8320	0.000	1	121.1130	0.153	10	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]C)(H){1|N<2>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.1390	0.000	1	121.1130	0.153	10	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]C)(H){1|N<2>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9500	0.000	1	121.1130	0.153	10	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]C)(H){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.4440	0.000	1	120.4440	0.000	1	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]Cl)(H){1|Br<1>,1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.0630	0.000	1	122.0630	0.000	1	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]B[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]B[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,2|O<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3600	0.000	1	121.3600	0.000	1	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.4610	0.000	1	121.3561	0.155	20	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3210	0.115	5	121.3561	0.155	20	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.3990	0.000	1	121.3561	0.155	20	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9840	0.158	2	121.3561	0.155	20	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.5460	0.131	7	121.3561	0.155	20	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2685	0.008	2	121.3561	0.155	20	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a,6]C[5a,6,6]C[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1645	0.086	2	121.3561	0.155	20	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H){1|N<3>,2|C<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2530	0.000	1	121.2359	0.080	7	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1155	0.110	2	121.2359	0.080	7	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|B<4>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8610	0.000	1	121.2359	0.080	7	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2680	0.100	2	121.2359	0.080	7	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]B[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,2|O<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.7700	0.000	1	121.2359	0.080	7	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3040	0.525	2	121.3057	0.132	6	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]C[6])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.1030	0.127	2	121.3057	0.132	6	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1910	0.000	1	121.3057	0.132	6	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.8290	0.000	1	121.3057	0.132	6	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]S[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]S[6])(C[6a]C[6a]H){2|H<1>,2|O<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.5110	0.000	1	121.5110	0.000	1	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8988	0.969	4	121.2326	0.238	16	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|F<1>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3557	0.126	7	121.2326	0.238	16	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|F<1>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3557	0.167	3	121.2326	0.238	16	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H){2|C<3>,2|F<1>,2|H<1>,2|N<3>}	H(C[6a]C[5a,6a]C[6a])	121.2845	0.081	2	121.2326	0.238	16	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3855	0.103	2	121.4330	0.074	73	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1160	0.000	1	121.4330	0.074	73	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4335	0.196	2	121.4330	0.074	73	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5020	0.000	1	121.4330	0.074	73	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5717	0.217	6	121.4330	0.074	73	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4307	0.068	3	121.4330	0.074	73	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.0890	0.000	1	121.4330	0.074	73	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1395	0.131	2	121.4330	0.074	73	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5280	0.141	5	121.4330	0.074	73	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4970	0.351	3	121.4330	0.074	73	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|N<2>,3|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5270	0.023	2	121.4330	0.074	73	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.4235	0.295	2	121.4330	0.074	73	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8973	0.521	3	121.4330	0.074	73	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,5|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0090	0.000	1	121.4330	0.074	73	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3590	0.000	1	121.4330	0.074	73	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3937	0.155	6	121.4330	0.074	73	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){3|C<3>,5|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5700	0.000	1	121.4330	0.074	73	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4480	0.000	1	121.4330	0.074	73	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){3|C<3>,5|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9150	0.000	1	121.4330	0.074	73	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0500	0.000	1	121.4330	0.074	73	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3060	0.000	1	121.4330	0.074	73	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5355	0.148	2	121.4330	0.074	73	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2730	0.000	1	121.4330	0.074	73	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5112	0.157	4	121.4330	0.074	73	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.5565	0.309	6	121.4330	0.074	73	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2150	0.000	1	121.4330	0.074	73	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4370	0.000	1	121.4330	0.074	73	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.4787	0.053	3	121.4330	0.074	73	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.8035	0.667	2	121.4330	0.074	73	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5733	0.120	3	121.4330	0.074	73	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6735	0.063	2	121.4330	0.074	73	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){3|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7670	0.000	1	121.4330	0.074	73	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2620	0.000	1	121.4330	0.074	73	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.9570	0.000	1	121.7591	0.176	47	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6a]C[5a,6a]C[6a])	123.7250	0.000	1	121.7591	0.176	47	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7170	0.000	1	121.7591	0.176	47	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|F<1>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.8490	0.000	1	121.7591	0.176	47	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5900	0.000	1	121.7591	0.176	47	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.0545	0.354	2	121.7591	0.176	47	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.4720	0.000	1	121.7591	0.176	47	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.9435	0.234	2	121.7591	0.176	47	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.7390	0.000	1	121.7591	0.176	47	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7111	0.353	14	121.7591	0.176	47	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3740	0.163	3	121.7591	0.176	47	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|F<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.4150	0.000	1	121.7591	0.176	47	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5220	0.000	1	121.7591	0.176	47	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.9320	0.000	1	121.7591	0.176	47	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6080	0.000	1	121.7591	0.176	47	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.8430	0.197	4	121.7591	0.176	47	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3305	0.148	2	121.7591	0.176	47	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7675	0.120	2	121.7591	0.176	47	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6360	0.000	1	121.7591	0.176	47	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.6545	0.103	2	121.7591	0.176	47	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7120	0.000	1	121.7591	0.176	47	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	122.1515	0.569	2	121.7591	0.176	47	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|N<2>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5520	0.000	1	121.7591	0.176	47	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0615	0.177	2	121.1137	0.019	6	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2660	0.000	1	121.1137	0.019	6	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|B<4>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2020	0.000	1	121.1137	0.019	6	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|Cl<1>,1|B<4>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a,6]B[5a,6]C[6])(C[6a]C[6a]H){1|F<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0455	0.127	2	121.1137	0.019	6	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a,6]C[5a,6]B[6])(C[6a]C[6a]H){1|C<3>,1|S<2>,2|H<1>,2|N<3>}	H(C[6a]C[5a,6a]C[6a])	121.3745	0.053	2	121.3745	0.003	2	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3205	0.032	2	121.3205	0.001	2	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6,6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.0200	0.000	1	121.0200	0.000	1	121.4509	0.180	201	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a,6a]C)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a,6a]C)(H){5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6030	0.000	1	120.6030	0.000	1	120.5886	0.699	41	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.0730	0.000	1	120.0730	0.000	1	120.5886	0.699	41	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]C[6a,6a]B[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a,6a]H)(H){1|B<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]C[6a,6a]B[5a])(C[6a]C[6a]H){2|Cl<1>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9223	0.500	4	120.9223	0.250	4	120.5886	0.699	41	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	116.5000	0.000	1	116.5000	0.000	1	120.5886	0.699	41	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.0090	0.000	1	120.0090	0.000	1	120.5886	0.699	41	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){1|B<6>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.7530	0.116	2	120.7152	0.317	29	120.5886	0.699	41	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){1|Cl<1>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.8735	0.090	2	120.7152	0.317	29	120.5886	0.699	41	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.8370	0.031	3	120.7152	0.317	29	120.5886	0.699	41	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0581	0.130	10	120.7152	0.317	29	120.5886	0.699	41	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0318	0.086	4	120.7152	0.317	29	120.5886	0.699	41	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0500	0.129	2	120.7152	0.317	29	120.5886	0.699	41	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8385	0.234	2	120.7152	0.317	29	120.5886	0.699	41	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){2|Cl<1>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8727	0.604	4	120.7152	0.317	29	120.5886	0.699	41	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]Ge[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|Ge<3>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]Ge[5a]C[6a])(C[6a]C[6a]H){1|Br<1>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6795	0.288	2	120.6292	0.035	4	120.5886	0.699	41	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]Ge[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|Ge<3>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a,6a]Ge[5a]C[6a])(C[6a]C[6a]H){1|Cl<1>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5790	0.103	2	120.6292	0.035	4	120.5886	0.699	41	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5,6a]C[6a])(H){2|C<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<4>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4840	0.000	1	120.4840	0.000	1	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5,6a]H)(H){5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1130	0.000	1	121.1130	0.000	1	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]C)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<4>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.3725	0.111	2	119.3725	0.012	2	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]C[6a])(H){1|C<4>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]H){5|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.9468	0.185	5	119.9468	0.034	5	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]C[6a])(H){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|N<3>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.2940	0.000	1	120.2940	0.000	1	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8975	0.402	2	120.8975	0.162	2	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4965	0.138	2	120.5670	0.024	3	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7080	0.000	1	120.5670	0.024	3	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H){1|S<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|H<1>,1|S<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0460	0.000	1	121.0460	0.000	1	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H){1|N<2>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2480	0.000	1	121.2480	0.000	1	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a]C[6a])(H){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8310	0.000	1	120.8310	0.000	1	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a]C[6a])(H){1|H<1>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.3100	0.000	1	120.3100	0.000	1	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]C[6a])(H){2|C<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|N<3>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1040	0.000	1	121.1040	0.000	1	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6,6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6,6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,3|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.2630	0.000	1	121.2630	0.000	1	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){1|C<4>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3010	0.000	1	121.2089	0.020	9	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2329	0.114	7	121.2089	0.020	9	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9490	0.000	1	121.2089	0.020	9	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1270	0.355	2	121.1642	0.060	4	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0470	0.000	1	121.1642	0.060	4	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3560	0.000	1	121.1642	0.060	4	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6,6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7400	0.000	1	120.7400	0.000	1	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.3580	0.000	1	121.1675	0.230	10	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2797	0.431	8	121.1675	0.230	10	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0790	0.000	1	121.1675	0.230	10	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1840	0.041	2	121.1840	0.002	2	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1252	0.268	5	121.1252	0.072	5	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){1|S<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8660	0.403	2	120.8660	0.162	2	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3630	0.264	2	121.3630	0.070	2	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2410	0.000	1	121.2080	0.002	2	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1750	0.000	1	121.2080	0.002	2	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	122.1670	0.000	1	122.1670	0.000	1	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5647	0.151	3	120.5153	0.025	4	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H){1|C<4>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.3670	0.000	1	120.5153	0.025	4	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|N<2>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7315	0.179	2	120.7315	0.032	2	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){5|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7980	0.438	2	120.7980	0.192	2	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H){1|C<2>,1|S<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|N<3>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.3660	0.000	1	121.0011	0.080	13	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H){1|C<4>,1|S<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|O<2>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9620	0.200	3	121.0011	0.080	13	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H){1|S<4>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|C<4>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8835	0.015	2	121.0011	0.080	13	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H){1|S<4>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|O<2>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1421	0.227	7	121.0011	0.080	13	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9420	0.369	2	120.9420	0.136	2	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.7715	0.370	4	121.7715	0.137	4	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1863	0.200	3	121.5700	0.143	7	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.8578	0.039	4	121.5700	0.143	7	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.8340	0.000	1	121.8340	0.000	1	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	122.1831	0.273	7	122.1831	0.074	7	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5240	0.000	1	121.5240	0.000	1	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.0170	0.000	1	121.0170	0.000	1	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.9410	0.000	1	120.8429	0.337	11	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1550	0.000	1	120.8429	0.337	11	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8250	0.000	1	120.8429	0.337	11	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<4>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2230	0.618	4	120.8429	0.337	11	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9305	0.276	2	120.8429	0.337	11	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|I<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.1420	0.000	1	120.8429	0.337	11	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|C<4>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4560	0.000	1	120.8429	0.337	11	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<2>,1|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0680	0.000	1	121.0680	0.000	1	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0520	0.000	1	120.8117	0.040	12	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7265	0.156	8	120.8117	0.040	12	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9587	0.207	3	120.8117	0.040	12	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|C<4>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7470	0.000	1	120.7470	0.000	1	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Al)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|Al<4>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Al)(C[6a]C[6a]H){1|Al<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8160	0.000	1	120.8160	0.000	1	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|B<3>,1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4778	0.087	8	120.4741	0.020	16	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|B<3>,1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|C<5>,1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4395	0.209	6	120.4741	0.020	16	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|B<3>,1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|C<6>,1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5630	0.007	2	120.4741	0.020	16	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1060	0.000	1	121.3013	0.036	3	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3990	0.119	2	121.3013	0.036	3	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Cu)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|Cu<5>,1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Cu)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	120.8910	0.000	1	120.8910	0.000	1	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Ru)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|Ru<6>,1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Ru)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0880	0.000	1	121.0880	0.000	1	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8410	0.000	1	120.8410	0.000	1	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<3>,2|C<4>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3450	0.000	1	121.3450	0.000	1	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	H(C[6a]C[5a,6a]C[6a])	120.3450	0.000	1	120.3450	0.000	1	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C[5])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C[5])(H){1|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7490	0.000	1	120.7490	0.000	1	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.8105	0.066	2	121.8105	0.004	2	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.6870	0.000	1	121.6870	0.000	1	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|C<2>,1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.9770	0.000	1	121.9770	0.000	1	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	122.2890	0.000	1	122.2890	0.000	1	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	122.3350	0.000	1	122.3350	0.000	1	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	122.2540	0.000	1	122.2540	0.000	1	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.3230	0.000	1	122.3230	0.000	1	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|F<1>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	122.6290	0.000	1	122.6185	0.000	2	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]F)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|F<1>,1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	122.6080	0.000	1	122.6185	0.000	2	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|B<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3280	0.000	1	121.1881	1.957	40	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7670	0.000	1	121.1881	1.957	40	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2600	0.000	1	121.1881	1.957	40	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3477	2.294	7	121.1881	1.957	40	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2870	0.158	6	121.1881	1.957	40	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4082	0.146	4	121.1881	1.957	40	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3560	0.000	1	121.1881	1.957	40	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|Si<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1345	0.129	4	121.1881	1.957	40	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0784	0.275	5	121.1881	1.957	40	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7480	0.008	2	121.1881	1.957	40	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0950	0.000	1	121.1881	1.957	40	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1135	0.203	2	121.1881	1.957	40	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|Si<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4660	0.000	1	121.1881	1.957	40	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0870	0.000	2	121.1881	1.957	40	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	127.3150	0.000	1	121.1881	1.957	40	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|Si<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3210	0.000	1	121.1881	1.957	40	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1550	0.000	1	121.3230	0.021	3	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C[6a])(C[6a]C[6a]H){1|Si<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.4070	0.000	2	121.3230	0.021	3	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,3|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.8030	0.000	1	121.1353	0.128	31	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1213	0.320	24	121.1353	0.128	31	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1786	0.423	5	121.1353	0.128	31	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5860	0.000	1	121.1353	0.128	31	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4885	0.334	15	121.4248	0.086	22	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2990	0.090	6	121.4248	0.086	22	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H){1|Si<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2240	0.000	1	121.4248	0.086	22	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]Si)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]Si)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1470	0.000	2	121.1470	0.000	2	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9000	0.000	1	121.2140	0.110	22	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9320	0.000	1	121.2140	0.110	22	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1758	0.510	6	121.2140	0.110	22	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2250	0.142	12	121.2140	0.110	22	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1420	0.000	1	121.2140	0.110	22	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.9800	0.000	1	121.2140	0.110	22	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C[6a])(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1825	0.054	2	121.1027	0.021	3	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9430	0.000	1	121.1027	0.021	3	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7060	0.000	1	121.0890	0.118	13	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0395	0.387	8	121.0890	0.118	13	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1790	0.000	1	121.0890	0.118	13	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3187	0.129	3	121.0890	0.118	13	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]S)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0980	0.000	1	121.1502	0.123	4	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]S)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0270	0.498	2	121.1502	0.123	4	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.4490	0.000	1	121.1502	0.123	4	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6,6]C[6a])(N[5a]C[5a,6,6]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6,6]C[6a])(N[5a]C[5a,6,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1640	0.000	1	121.1640	0.000	1	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9073	0.094	3	121.3261	0.170	122	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0940	0.000	1	121.3261	0.170	122	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|F<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8980	0.000	1	121.3261	0.170	122	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1110	0.000	1	121.3261	0.170	122	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2065	0.357	2	121.3261	0.170	122	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2470	0.132	5	121.3261	0.170	122	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4530	0.000	1	121.3261	0.170	122	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2616	0.363	46	121.3261	0.170	122	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3138	0.238	12	121.3261	0.170	122	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2180	0.000	1	121.3261	0.170	122	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2320	0.003	2	121.3261	0.170	122	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1835	0.060	2	121.3261	0.170	122	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7140	0.000	1	121.3261	0.170	122	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.5917	0.788	7	121.3261	0.170	122	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|I<1>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.1910	0.000	1	121.3261	0.170	122	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2060	0.000	1	121.3261	0.170	122	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9030	0.000	1	121.3261	0.170	122	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3260	0.000	1	121.3261	0.170	122	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1330	0.000	1	121.3261	0.170	122	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3268	0.106	5	121.3261	0.170	122	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2410	0.349	5	121.3261	0.170	122	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6953	0.631	13	121.3261	0.170	122	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4620	0.158	5	121.3261	0.170	122	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.6913	0.186	3	121.3261	0.170	122	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1360	0.000	1	121.3261	0.170	122	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[4])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[4])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|N<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9980	0.000	1	120.9980	0.000	1	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[5])(C[6a]C[6a]H){1|Hf<12>,1|C<3>,2|H<1>,4|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.9010	0.000	1	121.9010	0.000	1	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,2|N<2>}	H(C[6a]C[5a,6a]C[6a])	121.2070	0.208	3	121.5544	0.738	7	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	123.4370	0.000	1	121.5544	0.738	7	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	H(C[6a]C[5a,6a]C[6a])	121.6350	0.000	1	121.5544	0.738	7	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0940	0.061	2	121.5544	0.738	7	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]Cu)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cu<2>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]Cu)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3000	0.000	1	120.3000	0.000	1	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9399	0.270	12	121.2480	0.217	288	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2050	0.000	1	121.2480	0.217	288	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4230	0.000	1	121.2480	0.217	288	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3484	0.050	5	121.2480	0.217	288	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.4730	0.000	1	121.2480	0.217	288	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3070	0.127	3	121.2480	0.217	288	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9995	0.146	2	121.2480	0.217	288	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1300	0.084	3	121.2480	0.217	288	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0466	0.147	5	121.2480	0.217	288	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2668	0.197	4	121.2480	0.217	288	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2518	0.113	4	121.2480	0.217	288	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5770	0.000	1	121.2480	0.217	288	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1925	0.078	2	121.2480	0.217	288	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.4065	0.258	2	121.2480	0.217	288	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2273	0.537	177	121.2480	0.217	288	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	H(C[6a]C[5a,6a]C[6a])	121.2750	0.000	1	121.2480	0.217	288	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3218	0.303	44	121.2480	0.217	288	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3184	0.135	7	121.2480	0.217	288	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.6168	0.378	13	121.2480	0.217	288	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]O)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6230	0.045	2	121.6230	0.002	2	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]Pd)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]Pd)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7067	0.304	3	120.7067	0.092	3	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0470	0.000	1	121.4790	0.329	29	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5260	0.000	1	121.4790	0.329	29	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5545	0.511	6	121.4790	0.329	29	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5532	0.291	13	121.4790	0.329	29	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3410	1.137	6	121.4790	0.329	29	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3765	0.081	2	121.4790	0.329	29	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3710	0.000	1	121.3710	0.000	1	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]B)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]B)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0790	0.108	3	120.9672	0.037	5	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]B)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]B)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7995	0.179	2	120.9672	0.037	5	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.9120	0.000	1	121.1376	0.401	748	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9183	0.279	45	121.1376	0.401	748	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4868	0.734	8	121.1376	0.401	748	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0763	0.240	16	121.1376	0.401	748	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.6175	0.154	4	121.1376	0.401	748	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8930	0.222	2	121.1376	0.401	748	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	H(C[6a]C[5a,6a]C[6a])	121.3194	0.118	7	121.1376	0.401	748	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.4780	0.000	1	121.1376	0.401	748	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3400	0.000	1	121.1376	0.401	748	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3225	0.392	11	121.1376	0.401	748	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1088	0.211	10	121.1376	0.401	748	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1860	0.180	3	121.1376	0.401	748	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1781	0.586	385	121.1376	0.401	748	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|I<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6200	0.146	3	121.1376	0.401	748	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|I<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6550	0.000	1	121.1376	0.401	748	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5295	0.848	6	121.1376	0.401	748	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0945	0.459	8	121.1376	0.401	748	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9815	0.103	2	121.1376	0.401	748	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6110	0.330	12	121.1376	0.401	748	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3240	0.000	1	121.1376	0.401	748	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1430	0.000	1	121.1376	0.401	748	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0964	0.445	86	121.1376	0.401	748	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1243	0.116	3	121.1376	0.401	748	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1640	0.000	1	121.1376	0.401	748	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3182	1.102	87	121.1376	0.401	748	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7800	0.593	4	121.1376	0.401	748	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Si<4>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1106	0.114	8	121.1376	0.401	748	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2760	0.000	1	121.1376	0.401	748	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0169	0.559	30	121.1376	0.401	748	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7305	0.032	2	121.0547	0.084	8	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5])(C[6a]C[6a]H){1|Zr<12>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1340	0.393	2	121.0547	0.084	8	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5])(C[6a]C[6a]H){1|Zr<9>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1773	0.224	4	121.0547	0.084	8	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8266	0.764	7	120.9434	0.503	9	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3525	0.308	2	120.9434	0.503	9	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1655	0.042	2	121.2832	0.228	58	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9295	0.258	2	121.2832	0.228	58	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2005	0.129	2	121.2832	0.228	58	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0640	0.427	2	121.2832	0.228	58	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0985	0.179	4	121.2832	0.228	58	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|C<2>,1|N<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.8845	1.603	2	121.2832	0.228	58	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3497	0.119	3	121.2832	0.228	58	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2455	0.180	2	121.2832	0.228	58	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1235	0.375	2	121.2832	0.228	58	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3685	0.461	15	121.2832	0.228	58	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2831	0.510	22	121.2832	0.228	58	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3085	0.197	2	121.2536	0.131	826	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0380	0.178	15	121.2536	0.131	826	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9615	0.037	2	121.2536	0.131	826	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1560	0.370	52	121.2536	0.131	826	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2443	0.139	6	121.2536	0.131	826	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.5780	0.000	1	121.2536	0.131	826	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.6930	0.027	2	121.2536	0.131	826	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2512	0.083	5	121.2536	0.131	826	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2683	0.348	73	121.2536	0.131	826	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2692	0.361	629	121.2536	0.131	826	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0636	0.378	12	121.2536	0.131	826	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3120	0.134	2	121.2536	0.131	826	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|P<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	122.2425	1.425	2	121.2536	0.131	826	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1228	0.202	23	121.2536	0.131	826	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Cu)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cu<3>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Cu)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7300	0.000	1	120.6588	0.081	9	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Cu)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cu<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Cu)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5405	0.388	2	120.6588	0.081	9	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Cu)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cu<4>,1|I<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Cu)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4975	0.419	2	120.6588	0.081	9	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Cu)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cu<5>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Cu)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6030	0.163	2	120.6588	0.081	9	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Cu)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cu<5>,1|I<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Cu)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9585	0.152	2	120.6588	0.081	9	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Fe)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Fe<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Fe)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7705	0.128	2	120.7705	0.016	2	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7400	0.000	1	121.1038	0.743	318	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6472	0.562	4	121.1038	0.743	318	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1574	0.179	5	121.1038	0.743	318	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9076	0.787	13	121.1038	0.743	318	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8702	0.267	4	121.1038	0.743	318	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0760	0.143	4	121.1038	0.743	318	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3105	0.385	2	121.1038	0.743	318	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0237	0.227	6	121.1038	0.743	318	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0700	0.324	2	121.1038	0.743	318	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1475	0.686	78	121.1038	0.743	318	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	H(C[6a]C[5a,6a]C[6a])	120.7030	0.000	1	121.1038	0.743	318	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.6910	0.154	2	121.1038	0.743	318	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0740	0.622	7	121.1038	0.743	318	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.5440	0.133	2	121.1038	0.743	318	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1206	0.416	20	121.1038	0.743	318	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0855	0.180	2	121.1038	0.743	318	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1068	1.050	165	121.1038	0.743	318	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.7035	0.131	2	121.6633	0.016	4	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.6230	0.156	2	121.6633	0.016	4	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5])(C[6a]C[6a]H){1|B<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2805	0.152	2	121.2805	0.023	2	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3487	0.226	4	121.3264	0.041	5	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2370	0.000	1	121.3264	0.041	5	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]P)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|P<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]P)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1865	0.012	2	121.2098	0.038	37	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]P)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|P<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]P)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2120	0.161	9	121.2098	0.038	37	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]P)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]P)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2108	0.217	26	121.2098	0.038	37	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Pd)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Pd)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9078	0.394	4	120.9078	0.156	4	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Pt)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Pt)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0260	0.000	1	120.7728	0.030	4	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Pt)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Pt<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Pt)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6883	0.053	3	120.7728	0.030	4	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8380	0.171	4	121.3867	0.172	70	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1815	0.030	2	121.3867	0.172	70	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|F<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2240	0.000	1	121.3867	0.172	70	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	H(C[6a]C[5a,6a]C[6a])	121.5070	0.000	1	121.3867	0.172	70	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.6610	0.000	1	121.3867	0.172	70	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4028	0.074	6	121.3867	0.172	70	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.4366	0.459	49	121.3867	0.172	70	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3320	0.034	2	121.3867	0.172	70	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|S<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.6110	0.000	1	121.3867	0.172	70	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|S<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3810	0.000	1	121.3867	0.172	70	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|S<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2480	0.238	2	121.3867	0.172	70	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Si)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Si<4>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Si)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6540	0.033	2	120.9880	0.085	7	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Si)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]Si)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1216	0.222	5	120.9880	0.085	7	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3390	0.000	1	121.3390	0.000	1	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.8480	0.000	1	121.8480	0.000	1	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.5938	0.317	6	121.5703	0.087	7	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.4290	0.000	1	121.5703	0.087	7	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5,6]C[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5,6]C[5a])(C[6a]C[6a]H){1|Pd<4>,1|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1860	0.000	1	121.1860	0.000	1	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Al)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Al<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Al)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9355	0.081	2	121.0637	0.077	8	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Al)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Al<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Al)(C[6a]C[6a]H){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2682	0.237	4	121.0637	0.077	8	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Al)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Al<5>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Al)(C[6a]C[6a]H){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7830	0.054	2	121.0637	0.077	8	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Au)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Au<2>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Au)(C[6a]C[6a]H){1|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2480	0.000	1	121.2480	0.000	1	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[4])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[4])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6400	0.000	1	120.6400	0.000	1	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0930	0.000	1	121.1798	0.084	10	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9810	0.000	1	121.1798	0.084	10	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3290	0.000	1	121.1798	0.084	10	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5860	0.000	1	121.1798	0.084	10	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3820	0.000	1	121.1798	0.084	10	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|Zr<12>,1|C<3>,2|H<1>,4|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.6640	0.000	1	121.1798	0.084	10	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|I<1>,1|O<2>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1310	0.000	1	121.1798	0.084	10	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3070	0.020	2	121.1798	0.084	10	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0180	0.000	1	121.1798	0.084	10	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0670	0.000	1	121.3555	0.267	11	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7060	0.462	2	121.3555	0.267	11	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3680	0.000	1	121.3555	0.267	11	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|Cr<9>,1|Si<4>,1|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2920	0.000	1	121.3555	0.267	11	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2335	0.100	2	121.3555	0.267	11	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4830	0.000	1	121.3555	0.267	11	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|Mn<6>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1970	0.000	1	121.3555	0.267	11	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|Rh<8>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.3120	0.000	1	121.3555	0.267	11	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|Rh<8>,1|C<3>,1|N<2>,1|N<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3120	0.000	1	121.3555	0.267	11	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2330	0.000	1	121.2963	0.059	79	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.5650	0.000	1	121.2963	0.059	79	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3730	0.000	1	121.2963	0.059	79	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	H(C[6a]C[5a,6a]C[6a])	121.1970	0.000	1	121.2963	0.059	79	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3565	0.243	2	121.2963	0.059	79	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2910	0.280	2	121.2963	0.059	79	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|N<2>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2424	0.065	5	121.2963	0.059	79	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|F<1>,1|H<1>,1|I<1>,1|N<3>,2|N<2>}	H(C[6a]C[5a,6a]C[6a])	121.5410	0.000	1	121.2963	0.059	79	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|N<2>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0730	0.000	1	121.2963	0.059	79	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|S<2>,2|N<2>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2800	0.000	1	121.2963	0.059	79	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,2|N<2>}	H(C[6a]C[5a,6a]C[6a])	121.3130	0.000	1	121.2963	0.059	79	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,2|N<2>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4160	0.000	1	121.2963	0.059	79	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1685	0.011	2	121.2963	0.059	79	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	H(C[6a]C[5a,6a]C[6a])	121.3075	0.207	2	121.2963	0.059	79	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1677	0.279	4	121.2963	0.059	79	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|H<1>,2|N<2>}	H(C[6a]C[5a,6a]C[6a])	121.3970	0.000	1	121.2963	0.059	79	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|I<1>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4930	0.000	1	121.2963	0.059	79	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3040	0.000	1	121.2963	0.059	79	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1400	0.230	4	121.2963	0.059	79	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3430	0.284	4	121.2963	0.059	79	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3937	0.123	3	121.2963	0.059	79	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.4590	0.000	1	121.2963	0.059	79	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|P<4>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1570	0.000	1	121.2963	0.059	79	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|Pd<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0140	0.000	1	121.2963	0.059	79	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){2|C<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2370	0.000	1	121.2963	0.059	79	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){2|C<3>,2|N<2>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3567	0.078	9	121.2963	0.059	79	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3430	0.245	2	121.2963	0.059	79	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4853	0.453	3	121.2963	0.059	79	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3994	0.422	12	121.2963	0.059	79	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0830	0.000	1	121.2963	0.059	79	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|N<2>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1860	0.000	1	121.2963	0.059	79	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|N<2>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2150	0.000	1	121.2963	0.059	79	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0750	0.000	1	121.2963	0.059	79	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0120	0.000	1	121.2963	0.059	79	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2220	0.000	1	121.2963	0.059	79	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0260	0.000	1	121.2963	0.059	79	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0750	0.000	2	121.2963	0.059	79	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Cu)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cu<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Cu)(C[6a]C[6a]H){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8065	0.248	4	120.8065	0.062	4	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ir)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Ir<5>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ir)(C[6a]C[6a]H){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2260	0.000	1	120.8825	0.109	8	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ir)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Ir<6>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ir)(C[6a]C[6a]H){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1900	0.000	1	120.8825	0.109	8	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ir)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Ir<6>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ir)(C[6a]C[6a]H){1|Ir<6>,1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3720	0.000	1	120.8825	0.109	8	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ir)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Ir<8>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ir)(C[6a]C[6a]H){1|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8263	0.243	3	120.8825	0.109	8	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ir)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Ir<8>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ir)(C[6a]C[6a]H){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8965	0.405	2	120.8825	0.109	8	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Mg)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Mg<6>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Mg)(C[6a]C[6a]H){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5087	0.207	6	120.5087	0.043	6	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]N[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]N[5])(C[6a]C[6a]H){1|B<4>,2|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5285	0.100	2	121.5285	0.010	2	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7580	0.000	1	121.7580	0.000	1	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ni)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Ni<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ni)(C[6a]C[6a]H){1|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5594	1.390	5	121.5594	1.933	5	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Pd)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Pd)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9897	0.082	3	120.9660	0.007	4	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Pd)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Pd)(C[6a]C[6a]H){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8950	0.000	1	120.9660	0.007	4	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Pt)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Pt)(C[6a]C[6a]H){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8355	0.318	4	120.8186	0.077	5	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Pt)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Pt<5>,1|F<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Pt)(C[6a]C[6a]H){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7510	0.000	1	120.8186	0.077	5	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ru)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Ru<10>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ru)(C[6a]C[6a]H){1|C<3>,1|P<5>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0010	0.304	3	120.7712	0.124	10	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ru)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Ru<6>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ru)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8960	0.000	1	120.7712	0.124	10	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ru)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Ru<6>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ru)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8130	0.000	1	120.7712	0.124	10	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ru)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Ru<6>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ru)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6418	0.437	4	120.7712	0.124	10	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ru)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Ru<9>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ru)(C[6a]C[6a]H){1|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4330	0.000	1	120.7712	0.124	10	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Si)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|Si<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Si)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3500	0.000	1	120.9619	0.068	9	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Si)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Si)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1230	0.000	1	120.9619	0.068	9	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Si)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Si)(C[6a]C[6a]H){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9948	0.118	6	120.9619	0.068	9	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Si)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Si<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Si)(C[6a]C[6a]H){1|C<3>,1|C<5>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2150	0.000	1	120.9619	0.068	9	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ti)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Ti<5>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]Ti)(C[6a]C[6a]H){1|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8025	0.117	2	120.8025	0.014	2	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1320	0.000	1	120.9406	0.651	7	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5065	0.800	4	120.9406	0.651	7	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7130	0.058	2	120.9406	0.651	7	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4460	0.330	2	121.5695	0.057	4	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6590	0.000	1	121.5695	0.057	4	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.7270	0.000	1	121.5695	0.057	4	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	122.0170	0.086	2	122.0170	0.007	2	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6])(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1200	0.000	1	121.1200	0.000	1	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|B<3>,1|N<2>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8855	0.105	4	121.0786	0.059	40	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2340	0.000	1	121.0786	0.059	40	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0230	0.008	2	121.0786	0.059	40	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|C<5>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1292	0.163	6	121.0786	0.059	40	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|Ir<5>,1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9430	0.025	2	121.0786	0.059	40	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|Li<3>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9885	0.136	4	121.0786	0.059	40	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9743	0.145	3	121.0786	0.059	40	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){1|Pt<4>,1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8640	0.000	1	121.0786	0.059	40	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2653	0.328	12	121.0786	0.059	40	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9470	0.052	5	121.0786	0.059	40	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]Sn)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Sn<4>,1|B<3>,1|C<3>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]Sn)(C[6a]C[6a]H){1|Sn<4>,1|B<3>,1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8815	0.302	2	120.8815	0.091	2	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[3x6]C[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[3x6]C[5a])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3060	0.000	1	121.3060	0.000	1	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Ag)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Ag<2>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Ag)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.5480	0.000	1	119.5480	0.000	1	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Al)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Al<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Al)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3623	0.207	3	121.3525	0.029	4	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Al)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Al<5>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Al)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3230	0.000	1	121.3525	0.029	4	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Au)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Au<2>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Au)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4430	0.000	1	120.7065	1.085	2	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Au)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Au<2>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Au)(C[6a]C[6a]H){1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.9700	0.000	1	120.7065	1.085	2	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[3])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[3])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5600	0.000	1	121.5600	0.000	1	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.0590	0.000	1	121.6286	0.074	5	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<3>,2|S<2>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6510	0.000	1	121.6286	0.074	5	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3260	0.000	1	121.6286	0.074	5	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4920	0.000	1	121.6286	0.074	5	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6150	0.000	1	121.6286	0.074	5	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7920	0.000	1	121.7301	0.683	14	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4870	0.242	3	121.7301	0.683	14	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3215	0.671	2	121.7301	0.683	14	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8080	0.000	1	121.7301	0.683	14	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|Ru<8>,1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7200	0.000	1	121.7301	0.683	14	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.2840	1.150	5	121.7301	0.683	14	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3780	0.000	1	121.7301	0.683	14	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	H(C[6a]C[5a,6a]C[6a])	121.6250	0.000	1	121.7205	0.073	78	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	122.0750	0.000	1	121.7205	0.073	78	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.7410	0.000	1	121.7205	0.073	78	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.8534	0.187	7	121.7205	0.073	78	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.7260	0.173	2	121.7205	0.073	78	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.7308	0.280	40	121.7205	0.073	78	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6999	0.313	19	121.7205	0.073	78	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.4010	0.000	1	121.7205	0.073	78	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.5662	0.091	6	121.7205	0.073	78	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Cd)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cd<6>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Cd)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.0990	0.000	1	122.0990	0.000	1	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Co)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Co<5>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Co)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4660	0.178	4	121.3097	0.055	10	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Co)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Co<6>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Co)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2055	0.217	6	121.3097	0.055	10	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Cu)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cu<3>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Cu)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3020	0.000	1	121.0366	0.943	16	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Cu)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cu<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Cu)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1655	0.357	2	121.0366	0.943	16	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Cu)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cu<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Cu)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7945	0.008	2	121.0366	0.943	16	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Cu)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cu<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Cu)(C[6a]C[6a]H){1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	117.5570	0.000	1	121.0366	0.943	16	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Cu)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cu<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Cu)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3167	0.307	4	121.0366	0.943	16	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Cu)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cu<5>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Cu)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4502	0.206	5	121.0366	0.943	16	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Cu)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Cu<5>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Cu)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2890	0.000	1	121.0366	0.943	16	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Fe)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Fe<5>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Fe)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6557	0.366	3	121.4186	0.078	8	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Fe)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Fe<6>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Fe)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2650	0.007	2	121.4186	0.078	8	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Fe)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Fe<6>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Fe)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2840	0.069	3	121.4186	0.078	8	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Ir)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Ir<6>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Ir)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6143	0.713	3	121.4975	0.393	4	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Ir)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Ir<8>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Ir)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1470	0.000	1	121.4975	0.393	4	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	122.2040	0.000	1	122.0519	0.142	8	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3130	0.000	1	122.0519	0.142	8	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.1760	0.000	1	122.0519	0.142	8	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|H<1>,1|I<1>,1|S<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	122.0455	0.032	2	122.0519	0.142	8	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.9840	0.000	1	122.0519	0.142	8	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.3235	0.508	2	122.0519	0.142	8	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Ni)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Ni<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Ni)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5515	0.261	2	120.2830	3.092	4	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Ni)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Ni<6>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Ni)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.1920	0.000	1	120.2830	3.092	4	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Ni)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Ni<6>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Ni)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	117.8370	0.000	1	120.2830	3.092	4	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Os)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Os<6>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Os)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3415	0.077	2	121.3415	0.006	2	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]P[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|P<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]P[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|N<2>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.9793	0.375	4	121.9793	0.140	4	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Re)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Re<6>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Re)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5760	0.000	1	121.5760	0.000	1	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Ru)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Ru<6>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Ru)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1033	0.217	9	121.1153	0.043	10	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Ru)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Ru<9>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Ru)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2230	0.000	1	121.1153	0.043	10	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Zn)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Zn<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Zn)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5600	0.000	1	121.6016	0.121	5	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Zn)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Zn<5>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Zn)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4137	0.068	3	121.6016	0.121	5	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Zn)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Zn<6>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]Zn)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.2070	0.000	1	121.6016	0.121	5	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.9690	0.000	1	121.9076	0.203	16	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|I<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	122.0630	0.312	6	121.9076	0.203	16	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.1060	0.130	2	121.9076	0.203	16	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.7090	0.584	7	121.9076	0.203	16	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Ge[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Ge<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Ge[5a]C)(C[6a]C[6a]H){1|Mo<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.0455	0.192	4	120.0455	0.037	4	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.8945	0.036	2	121.1992	3.972	6	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.8060	0.000	1	121.1992	3.972	6	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.4150	0.000	1	121.1992	3.972	6	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	122.0300	0.000	1	121.1992	3.972	6	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	117.1550	0.000	1	121.1992	3.972	6	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.4320	0.000	1	122.0422	0.109	4	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.0050	0.267	2	122.0422	0.109	4	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7270	0.000	1	122.0422	0.109	4	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Si[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Si<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Si[5a]C)(C[6a]C[6a]H){1|Li<3>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.0175	0.060	2	120.2441	0.040	11	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Si[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Si<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Si[5a]C)(C[6a]C[6a]H){1|Mo<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2390	0.079	2	120.2441	0.040	11	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Si[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Si<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Si[5a]C)(C[6a]C[6a]H){1|Ru<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4212	0.100	5	120.2441	0.040	11	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Si[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Si<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]Si[5a]C)(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.0330	0.017	2	120.2441	0.040	11	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a]C[5a]Ni)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Ni<6>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a]C[5a]Ni)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1470	0.000	1	121.1470	0.000	1	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a]C[5a]Si)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a]C[5a]Si)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4019	0.136	8	121.4019	0.019	8	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a]Si[5,6]C[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Si<6>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(N[5a]Si[5,6]C[5a])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|H<1>,2|N<3>,2|O<2>}	H(C[6a]C[5a,6a]C[6a])	121.3230	0.000	1	121.3230	0.000	1	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]As[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|As<2>,1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]As[5a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.7960	0.000	1	119.7960	0.000	1	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]C[5a]Fe)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Fe<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(N[5a]C[5a]Fe)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4227	0.142	3	120.4227	0.020	3	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5810	0.000	1	121.5810	0.000	1	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.8640	0.000	1	121.8640	0.000	1	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.4613	0.284	3	121.4265	0.061	6	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6510	0.000	1	121.4265	0.061	6	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1310	0.000	1	121.4265	0.061	6	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3930	0.000	1	121.4265	0.061	6	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2570	0.000	1	121.3705	0.026	2	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.4840	0.000	1	121.3705	0.026	2	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]C[5a,5a]H)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	H(C[6a]C[5a,6a]C[6a])	121.2780	0.000	1	121.2780	0.000	1	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.8630	0.164	2	121.8630	0.027	2	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6380	0.000	1	121.6325	0.000	2	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.6270	0.000	1	121.6325	0.000	2	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1740	0.000	1	121.1740	0.000	1	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	H(C[6a]C[5a,6a]C[6a])	121.9710	0.000	1	121.9710	0.000	1	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,3|N<3>}	H(C[6a]C[5a,6a]C[6a])	122.4840	0.000	1	122.4655	0.001	2	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|N<2>,2|N<3>}	H(C[6a]C[5a,6a]C[6a])	122.4470	0.000	1	122.4655	0.001	2	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[5a])(H){1|C<4>,1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1070	0.000	1	121.1070	0.000	1	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[5a])(H){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.5490	0.000	1	121.5490	0.000	1	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[5a])(H){1|H<1>,1|N<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.6140	0.000	1	121.6140	0.000	1	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.6155	0.217	2	121.6155	0.047	2	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|O<2>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1870	0.000	1	121.1870	0.000	1	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]O)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(N[5a]C[5a,5a]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	125.1890	0.000	1	125.1890	0.000	1	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.5670	0.000	1	121.5550	0.020	6	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.5210	0.000	1	121.5550	0.020	6	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2940	0.000	1	121.5550	0.020	6	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.6350	0.068	2	121.5550	0.020	6	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.6780	0.000	1	121.5550	0.020	6	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.5000	0.373	4	121.6189	0.079	8	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.7378	0.093	4	121.6189	0.079	8	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]S)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.7597	0.178	3	121.7597	0.032	3	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.5430	0.293	2	121.0909	0.162	17	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|O<2>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.4600	0.000	1	121.0909	0.162	17	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3385	0.071	2	121.0909	0.162	17	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9503	0.395	11	121.0909	0.162	17	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8690	0.000	1	121.0909	0.162	17	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.6560	0.000	1	121.6560	0.000	1	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|Br<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0060	0.000	1	121.4474	0.089	18	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.5745	0.050	2	121.4474	0.089	18	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0190	0.000	1	121.4474	0.089	18	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3642	0.243	4	121.4474	0.089	18	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.4425	0.276	2	121.4474	0.089	18	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.5673	0.316	8	121.4474	0.089	18	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.9755	0.107	2	121.8613	0.045	3	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|O<2>}	H(C[6a]C[5a,6a]C[6a])	121.6330	0.000	1	121.8613	0.045	3	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3910	0.000	1	121.3910	0.000	1	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.8750	0.000	1	121.9160	0.003	2	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.9570	0.000	1	121.9160	0.003	2	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Ru)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Ru)(H){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|Ru<6>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.4910	0.000	1	119.4910	0.000	1	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]S)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]S)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.6020	0.000	1	121.6020	0.000	1	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Si)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Si)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|Si<4>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.3350	0.064	2	120.3350	0.004	2	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Si)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Si)(H){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|Si<4>,1|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.1010	0.000	1	120.1010	0.000	1	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Br)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Br)(H){1|S<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	122.7830	0.000	1	122.7830	0.000	1	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]C[5a,6]C)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.9845	0.311	4	121.9845	0.097	4	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.1540	0.000	1	121.1540	0.000	1	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(H){5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2450	0.000	1	121.2450	0.000	1	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	H(C[6a]C[5a,6a]C[6a])	122.0640	0.000	1	121.4250	0.817	2	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7860	0.000	1	121.4250	0.817	2	121.2190	0.344	3441	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](C[5a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(H){5|C<3>}	C[5a,6a](C[5a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.8150	0.000	1	119.8150	0.000	1	120.3535	0.580	2	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H)	C[5a,6a](C[5a]C[3x3,4,3x5,14x6]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(H){1|C<5>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a]C[3x3,4,3x5,14x6]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|O<2>,2|H<1>,4|B<6>}	H(C[6a]C[5a,6a]C[6a])	120.8920	0.000	1	120.8920	0.000	1	120.3535	0.580	2	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5,5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5,5a,6a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5,5a,6a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5,5a,6a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5,5a,6a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5810	0.000	1	120.6730	0.017	2	120.6730	0.017	2	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5,5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5,5a,6a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5,5a,6a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5,5a,6a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5,5a,6a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7650	0.000	1	120.6730	0.017	2	120.6730	0.017	2	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]C)(H)	C[5a,6a](N[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<2>,3|C<3>}	C[5a,6a](N[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9690	0.000	1	120.9690	0.000	1	121.5155	0.143	8	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](N[5,5a]C[5,5a]C[5,5])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3560	0.000	1	121.3560	0.000	1	121.5155	0.143	8	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5,5a]C[5,5a]C[5,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](N[5,5a]C[5,5a]C[5,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2690	0.000	1	121.2690	0.000	1	121.5155	0.143	8	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5,5a]C[5,5a]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](N[5,5a]C[5,5a]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.8540	0.020	2	121.8540	0.000	2	121.5155	0.143	8	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3750	0.192	2	121.6073	0.180	3	121.5155	0.143	8	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	122.0720	0.000	1	121.6073	0.180	3	121.5155	0.143	8	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5,5a]-3:N[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5,5a])(C[6a]N[6a]O)(H)	C[5a,6a](N[5,5a]C[5,5a]C[5])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5,5a])(C[6a]N[6a]O)(H){1|B<4>,1|H<1>,3|C<3>}	C[5a,6a](N[5,5a]C[5,5a]C[5])(N[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>,2|N<3>,2|O<1>}	H(C[6a]C[5a,6a]C[6a])	121.4630	0.110	2	121.4630	0.012	2	121.4630	0.012	2	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,5a,6a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,5a,6a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8950	0.000	1	120.8950	0.000	1	120.8950	0.000	1	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a,6a]C[5a,5a]C[5a,6a])(C[5a]N[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,5a,6a]C[5a,5a]C[5a,6a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7650	0.000	1	120.7650	0.000	1	120.7650	0.000	1	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2460	0.000	1	121.2603	0.093	3	121.4035	0.323	76	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9620	0.000	1	121.2603	0.093	3	121.4035	0.323	76	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.5730	0.000	1	121.2603	0.093	3	121.4035	0.323	76	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]C)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8280	0.000	1	120.8280	0.000	1	121.4035	0.323	76	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]B[5a,5a]C[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](N[5a,5a]B[5a,5a]C[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8480	0.000	1	120.8480	0.000	1	121.4035	0.323	76	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.4400	0.214	7	121.4006	0.052	8	121.4035	0.323	76	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|N<3>,4|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1250	0.000	1	121.4006	0.052	8	121.4035	0.323	76	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]B[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|B<4>,1|F<1>,3|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]B[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0210	0.000	1	121.6631	0.378	7	121.4035	0.323	76	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]B[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|B<4>,1|F<1>,3|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]B[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	122.5140	0.000	1	121.6631	0.378	7	121.4035	0.323	76	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]B[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]B[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	H(C[6a]C[5a,6a]C[6a])	121.2530	0.000	1	121.6631	0.378	7	121.4035	0.323	76	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]B[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]B[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2805	0.293	2	121.6631	0.378	7	121.4035	0.323	76	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]B[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|B<4>,1|O<2>,3|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]B[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.9060	0.000	1	121.6631	0.378	7	121.4035	0.323	76	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]B[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|B<4>,3|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]B[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	122.3870	0.000	1	121.6631	0.378	7	121.4035	0.323	76	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|B<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6270	0.000	1	121.6270	0.000	1	121.4035	0.323	76	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.0760	0.000	1	122.0760	0.000	1	121.4035	0.323	76	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0725	0.053	2	121.3260	0.194	3	121.4035	0.323	76	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.8330	0.000	1	121.3260	0.194	3	121.4035	0.323	76	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|Cl<1>,4|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2340	0.000	1	121.2555	0.001	2	121.4035	0.323	76	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|C<3>,2|S<2>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2770	0.000	1	121.2555	0.001	2	121.4035	0.323	76	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6300	0.140	2	121.7853	0.256	16	121.4035	0.323	76	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	123.0450	0.000	1	121.7853	0.256	16	121.4035	0.323	76	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7080	0.000	1	121.7853	0.256	16	121.4035	0.323	76	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5180	0.000	1	121.7853	0.256	16	121.4035	0.323	76	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.8657	0.057	3	121.7853	0.256	16	121.4035	0.323	76	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<1>,1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7510	0.000	1	121.7853	0.256	16	121.4035	0.323	76	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.8610	0.197	4	121.7853	0.256	16	121.4035	0.323	76	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3750	0.000	1	121.7853	0.256	16	121.4035	0.323	76	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	122.2400	0.000	1	121.7853	0.256	16	121.4035	0.323	76	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.6270	0.000	1	121.7853	0.256	16	121.4035	0.323	76	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.5085	0.086	2	121.5085	0.007	2	121.4035	0.323	76	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|C<4>,1|S<2>,3|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>}	H(C[6a]C[5a,6a]C[6a])	120.3075	0.718	2	120.7939	0.102	19	121.4035	0.323	76	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|S<2>,3|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>}	H(C[6a]C[5a,6a]C[6a])	120.8940	0.000	1	120.7939	0.102	19	121.4035	0.323	76	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|F<1>,1|S<2>,3|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8715	0.132	2	120.7939	0.102	19	121.4035	0.323	76	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	H(C[6a]C[5a,6a]C[6a])	121.0995	0.030	2	120.7939	0.102	19	121.4035	0.323	76	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0005	0.086	2	120.7939	0.102	19	121.4035	0.323	76	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8870	0.000	1	120.7939	0.102	19	121.4035	0.323	76	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7220	0.000	1	120.7939	0.102	19	121.4035	0.323	76	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>}	H(C[6a]C[5a,6a]C[6a])	121.0095	0.008	2	120.7939	0.102	19	121.4035	0.323	76	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6247	0.279	3	120.7939	0.102	19	121.4035	0.323	76	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|N<3>,1|S<2>,3|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0220	0.000	1	120.7939	0.102	19	121.4035	0.323	76	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|O<2>,1|S<2>,3|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|Br<1>,1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4540	0.000	1	120.7939	0.102	19	121.4035	0.323	76	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|O<2>,1|S<2>,3|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]C[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6550	0.000	1	120.7939	0.102	19	121.4035	0.323	76	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.5275	0.213	2	121.5477	0.024	3	121.4035	0.323	76	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>}	H(C[6a]C[5a,6a]C[6a])	121.5880	0.000	1	121.5477	0.024	3	121.4035	0.323	76	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7720	0.000	1	121.7170	0.006	2	121.4035	0.323	76	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6620	0.000	1	121.7170	0.006	2	121.4035	0.323	76	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.8590	0.000	1	121.8590	0.000	1	121.4035	0.323	76	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.4850	0.000	1	121.4850	0.000	1	121.4035	0.323	76	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,6a]N[5a,5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,5a]C[5a,6a]N[5a,5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>}	H(C[6a]C[5a,6a]C[6a])	122.4400	0.000	1	122.4400	0.000	1	121.4035	0.323	76	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,5a]N[5a,5a]B[5a])(C[5a,6a]B[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|B<3>}	C[5a,6a](N[5a,5a]N[5a,5a]B[5a])(C[5a,6a]B[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.4820	0.000	1	121.4820	0.000	1	121.4035	0.323	76	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]N)(H)	C[5a,6a](N[5a,5a]C[5a,6a]N[5a,5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,5a]C[5a,6a]N[5a,5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|C<3>,2|N<2>,2|N<3>}	H(C[6a]C[5a,6a]C[6a])	122.7800	0.000	1	122.7800	0.000	1	121.4035	0.323	76	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]N[6a]H)(H)	C[5a,6a](N[5a,5a]C[5a,5a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]N[6a]H)(H){4|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a,6a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.6895	0.740	2	121.6895	0.548	2	121.4035	0.323	76	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6,6a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6,6a]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6,6a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6,6a]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9670	0.000	1	121.0540	0.015	2	121.0540	0.015	2	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6,6a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6,6a]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6,6a]C[5a,6a])(C[6a]C[6a]H)(H){5|C<3>}	C[5a,6a](N[5a,6,6a]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1410	0.000	1	121.0540	0.015	2	121.0540	0.015	2	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](N[5a,6,6a]C[6,6a,6a]C[5a,6])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6,6a]C[5a])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5a,6a](N[5a,6,6a]C[6,6a,6a]C[5a,6])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.8620	0.000	1	119.8620	0.000	1	119.8620	0.000	1	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4520	0.000	1	120.4520	0.000	1	121.1938	0.114	25	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]C)(H){1|C<4>,4|C<3>}	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.3700	0.000	1	120.3700	0.000	1	121.1938	0.114	25	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6]C[5a,6,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6]C[5a,6,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9950	0.000	1	120.9950	0.000	1	121.1938	0.114	25	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](N[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2850	0.000	1	121.2850	0.000	1	121.1938	0.114	25	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5940	0.000	1	121.7145	0.020	4	121.1938	0.114	25	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.7547	0.142	3	121.7145	0.020	4	121.1938	0.114	25	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](N[5a,6]C[5a,6]C[6,6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2527	0.115	7	121.2527	0.013	7	121.1938	0.114	25	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|Br<1>,4|C<3>}	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1490	0.000	1	121.0913	0.015	9	121.1938	0.114	25	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0420	0.118	4	121.0913	0.015	9	121.1938	0.114	25	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2860	0.000	1	121.0913	0.015	9	121.1938	0.114	25	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|Si<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1960	0.000	1	121.0913	0.015	9	121.1938	0.114	25	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0115	0.050	2	121.0913	0.015	9	121.1938	0.114	25	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2930	0.000	1	121.2930	0.000	1	121.1938	0.114	25	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a,6a]C[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a,6a]C[5a,6a,6a]B[3x6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a,6a]C[5a,6a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a,6a]C[5a,6a,6a]B[3x6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|B<4>,2|H<1>,2|N<3>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4820	0.000	1	120.4820	0.000	1	120.4820	0.000	1	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[5a]C[6a])(H)	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[5a]C[6a])(H){1|B<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0185	0.211	2	120.4333	0.218	6	121.2600	0.630	111	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[5a]C[6a])(H)	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[5a]C[6a])(H){1|B<4>,1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.1407	0.076	4	120.4333	0.218	6	121.2600	0.630	111	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]2)(H)	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]2)(H){1|B<4>,1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.1860	0.120	2	120.1860	0.014	2	121.2600	0.630	111	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]C)(H){1|C<4>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9660	0.000	1	120.9660	0.000	1	121.2600	0.630	111	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]Cl)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]Cl)(H){1|Cl<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3695	0.005	2	121.3695	0.000	2	121.2600	0.630	111	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]Cl)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]Cl)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	122.9280	0.000	1	122.9280	0.000	1	121.2600	0.630	111	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|B<4>,1|C<2>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5920	0.007	2	120.7825	0.035	6	121.2600	0.630	111	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9995	0.069	2	120.7825	0.035	6	121.2600	0.630	111	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|B<4>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,6a]B[5a,6,6]C[6a])(C[5a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7560	0.024	2	120.7825	0.035	6	121.2600	0.630	111	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0750	0.000	1	121.0750	0.000	1	121.2600	0.630	111	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3450	0.136	2	121.3450	0.018	2	121.2600	0.630	111	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1963	0.266	3	121.0351	0.053	13	121.2600	0.630	111	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8770	0.000	1	121.0351	0.053	13	121.2600	0.630	111	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2280	0.000	1	121.0351	0.053	13	121.2600	0.630	111	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0640	0.000	1	121.0351	0.053	13	121.2600	0.630	111	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8862	0.118	4	121.0351	0.053	13	121.2600	0.630	111	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8850	0.247	2	121.0351	0.053	13	121.2600	0.630	111	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){5|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.3830	0.000	1	121.0351	0.053	13	121.2600	0.630	111	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.5987	0.047	4	121.5987	0.002	4	121.2600	0.630	111	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2220	0.000	1	121.3275	0.022	2	121.2600	0.630	111	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.4330	0.000	1	121.3275	0.022	2	121.2600	0.630	111	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|C<2>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.8190	0.000	1	121.0357	1.299	26	121.2600	0.630	111	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|C<2>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0670	0.000	1	121.0357	1.299	26	121.2600	0.630	111	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4280	0.000	1	121.0357	1.299	26	121.2600	0.630	111	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|Cl<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8930	0.000	1	121.0357	1.299	26	121.2600	0.630	111	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|F<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0430	0.000	1	121.0357	1.299	26	121.2600	0.630	111	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.6250	0.000	1	121.0357	1.299	26	121.2600	0.630	111	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.1863	0.107	3	121.0357	1.299	26	121.2600	0.630	111	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4030	0.286	4	121.0357	1.299	26	121.2600	0.630	111	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|Cl<1>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7140	0.000	1	121.0357	1.299	26	121.2600	0.630	111	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6720	0.000	1	121.0357	1.299	26	121.2600	0.630	111	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1633	0.356	3	121.0357	1.299	26	121.2600	0.630	111	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	122.4710	0.000	1	121.0357	1.299	26	121.2600	0.630	111	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	116.0420	0.000	1	121.0357	1.299	26	121.2600	0.630	111	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3360	0.000	1	121.0357	1.299	26	121.2600	0.630	111	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2180	1.025	2	121.0357	1.299	26	121.2600	0.630	111	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4880	0.000	1	121.0357	1.299	26	121.2600	0.630	111	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|O<2>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7480	0.000	1	121.0357	1.299	26	121.2600	0.630	111	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){5|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.4840	0.000	1	121.0357	1.299	26	121.2600	0.630	111	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.4145	0.252	2	121.6392	0.116	30	121.2600	0.630	111	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0953	0.426	3	121.6392	0.116	30	121.2600	0.630	111	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5110	0.000	1	121.6392	0.116	30	121.2600	0.630	111	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.8510	0.000	1	121.6392	0.116	30	121.2600	0.630	111	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.7010	0.154	6	121.6392	0.116	30	121.2600	0.630	111	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.9520	0.000	1	121.6392	0.116	30	121.2600	0.630	111	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	122.1153	0.137	3	121.6392	0.116	30	121.2600	0.630	111	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.5720	0.388	6	121.6392	0.116	30	121.2600	0.630	111	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7445	0.145	4	121.6392	0.116	30	121.2600	0.630	111	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.7470	0.000	1	121.6392	0.116	30	121.2600	0.630	111	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5320	0.000	1	121.6392	0.116	30	121.2600	0.630	111	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|N<2>,1|O<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.5060	0.000	1	121.6392	0.116	30	121.2600	0.630	111	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|O<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.7700	0.000	1	120.2255	4.771	2	121.2600	0.630	111	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	118.6810	0.000	1	120.2255	4.771	2	121.2600	0.630	111	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9790	0.000	1	121.4435	0.432	2	121.2600	0.630	111	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.9080	0.000	1	121.4435	0.432	2	121.2600	0.630	111	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.3470	0.000	1	121.3470	0.000	1	121.2600	0.630	111	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|F<1>,2|C<3>,2|N<2>}	C[5a,6a](N[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.5640	0.000	1	121.5640	0.000	1	121.2600	0.630	111	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]N[5a,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.2390	0.000	1	121.2390	0.000	1	121.2600	0.630	111	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.5950	0.000	1	121.5950	0.000	1	121.2600	0.630	111	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]N)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.8593	0.263	3	121.8593	0.069	3	121.2600	0.630	111	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]N)(H)	C[5a,6a](N[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]N)(H){1|H<1>,2|C<3>,2|N<2>}	C[5a,6a](N[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	122.8170	0.020	2	122.8170	0.000	2	121.2600	0.630	111	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]O)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]O)(H){1|O<2>,1|S<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0970	0.000	1	121.0970	0.000	1	121.2600	0.630	111	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]N[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]N[6a]H)(H){4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|N<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.7970	0.000	1	121.7970	0.000	1	121.2600	0.630	111	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[5a,6a]H)(H){1|N<2>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6a]C[5a,6a]C[6a])	119.5775	0.127	2	119.5775	0.016	2	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[5a,6a]H)(H){1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6a]C[5a,6a]C[6a])	120.0890	0.000	1	120.0890	0.000	1	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.8070	0.000	1	119.8070	0.000	1	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.5930	0.000	1	119.5930	0.000	1	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](N[5a,6a]C[6a,6a]B[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|B<4>,1|C<2>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]B[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>,2|F<1>}	H(C[6a]C[5a,6a]C[6a])	120.6155	0.158	2	120.6155	0.025	2	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|Br<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]Br)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.0240	0.000	1	120.0240	0.000	1	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|C<2>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.0660	0.000	1	119.8750	0.024	4	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|C<4>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.8290	0.000	1	119.8750	0.024	4	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|C<4>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.6940	0.000	1	119.8750	0.024	4	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|N<2>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.9110	0.000	1	119.8750	0.024	4	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.7650	0.000	1	119.7360	0.002	2	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){5|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.7070	0.000	1	119.7360	0.002	2	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.0050	0.000	1	120.0983	0.029	3	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.1450	0.212	2	120.0983	0.029	3	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|O<2>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.1665	0.477	2	120.1665	0.228	2	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]N[5a]Br)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|Br<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]N[5a]Br)(C[6a]C[6a]H){1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.6770	0.000	1	119.6770	0.000	1	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5480	0.000	1	120.5480	0.000	1	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4854	0.157	7	120.4854	0.025	7	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,5|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){5|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.7430	0.382	3	119.7430	0.146	3	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2)(H){2|H<1>,5|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){5|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.9700	0.000	1	119.9700	0.000	1	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|H<1>,6|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.3700	0.000	1	119.3700	0.000	1	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|C<2>,1|N<2>,5|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|N<3>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.9980	0.192	4	119.9980	0.037	4	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,6a]C[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6]C[6a])(C[5a]C[5a,6]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.7110	0.000	1	119.7110	0.000	1	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.6970	0.000	1	119.5070	0.110	4	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.4190	0.000	1	119.5070	0.110	4	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.0810	0.000	1	119.5070	0.110	4	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.8310	0.000	1	119.5070	0.110	4	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.2940	0.000	1	119.2940	0.000	1	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]Cl)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]Cl)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.1580	0.390	2	120.1580	0.152	2	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.3390	0.000	1	120.3390	0.000	1	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4050	0.000	1	120.4050	0.000	1	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.4930	0.000	1	119.4930	0.000	1	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]B[5,5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]B[5,5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>,2|O<2>}	H(C[6a]C[5a,6a]C[6a])	120.3010	0.000	1	120.3010	0.000	1	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|B<4>,2|F<1>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5530	0.000	1	120.9590	0.063	6	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.2280	0.010	2	120.9590	0.063	6	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.9150	0.031	3	120.9590	0.063	6	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|B<3>,1|C<3>,1|N<3>,2|H<1>}	C[5a,6a](N[5a,6a]B[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|B<3>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	117.5800	0.000	1	117.5800	0.000	1	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6]C[6a])(C[5a]C[5a,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.6790	0.000	1	119.6790	0.000	1	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	H(C[6a]C[5a,6a]C[6a])	119.8320	0.000	1	119.8660	0.062	3	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.6350	0.000	1	119.8660	0.062	3	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.1310	0.000	1	119.8660	0.062	3	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.6708	0.093	5	119.6708	0.009	5	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	117.5360	0.000	1	117.5360	0.000	1	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8267	0.052	3	120.8267	0.003	3	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	118.9153	2.056	3	119.8899	0.404	33	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.1900	0.000	1	119.8899	0.404	33	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.5850	0.000	1	119.8899	0.404	33	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.7730	0.000	1	119.8899	0.404	33	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.0510	0.000	1	119.8899	0.404	33	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.6985	0.071	2	119.8899	0.404	33	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.1300	0.213	5	119.8899	0.404	33	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2290	0.000	1	119.8899	0.404	33	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|S<2>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.1130	0.000	1	119.8899	0.404	33	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.9322	0.165	5	119.8899	0.404	33	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.9770	0.218	9	119.8899	0.404	33	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.1055	0.168	2	119.8899	0.404	33	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){5|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.9680	0.000	1	119.8899	0.404	33	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.2175	0.098	2	119.9522	0.062	5	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.7380	0.000	1	119.9522	0.062	5	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.7940	0.048	2	119.9522	0.062	5	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]F)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]F)(C[6a]C[6a]H){1|C<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.1050	0.014	2	120.1050	0.000	2	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.8080	0.000	1	119.6200	0.858	10	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|B<3>,1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.6920	0.170	2	119.6200	0.858	10	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.1350	0.000	1	119.6200	0.858	10	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.0750	0.392	2	119.6200	0.858	10	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.1808	1.419	4	119.6200	0.858	10	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.8745	0.275	4	119.8745	0.076	4	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]O)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	117.4220	0.000	1	117.4220	0.000	1	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]S)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.1210	0.000	1	120.1210	0.000	1	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2510	0.000	1	120.2510	0.000	1	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5160	0.303	2	120.2179	0.109	9	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	119.9748	0.271	4	120.2179	0.109	9	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3433	0.222	3	120.2179	0.109	9	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]C[5])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.1410	0.000	1	120.1410	0.000	1	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.0580	0.000	1	118.9675	2.378	2	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	117.8770	0.000	1	118.9675	2.378	2	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]I)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|I<1>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]I)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5140	0.000	1	120.5140	0.000	1	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]N[5a]S)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3680	0.526	2	120.3680	0.277	2	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8630	0.000	1	120.8630	0.000	1	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7350	0.000	1	120.7350	0.000	1	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3920	0.000	1	119.6273	2.626	4	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	117.2130	0.000	1	119.6273	2.626	4	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4520	0.324	2	119.6273	2.626	4	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2180	0.000	1	120.2180	0.000	1	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5710	0.185	2	120.3362	0.085	4	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.1015	0.015	2	120.3362	0.085	4	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]F)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|F<1>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]F)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5680	0.000	1	120.5680	0.000	1	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.1330	0.000	1	120.2310	0.015	4	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.1520	0.000	1	120.2310	0.015	4	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.3195	0.117	2	120.2310	0.015	4	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.2830	0.000	2	120.2830	0.000	2	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|S<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	118.0000	0.000	1	118.0000	0.000	1	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|P<3>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8530	0.000	1	120.6337	0.028	4	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.5607	0.102	3	120.6337	0.028	4	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|I<1>}	H(C[6a]C[5a,6a]C[6a])	121.0580	0.000	1	120.8735	0.016	4	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|P<3>}	H(C[6a]C[5a,6a]C[6a])	120.8105	0.054	2	120.8735	0.016	4	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.8150	0.000	1	120.8735	0.016	4	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]C[5])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6390	0.000	1	120.6390	0.000	1	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|I<1>}	H(C[6a]C[5a,6a]C[6a])	120.4740	0.000	1	120.6598	0.027	5	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|P<3>}	H(C[6a]C[5a,6a]C[6a])	120.8125	0.139	2	120.6598	0.027	5	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.6000	0.047	2	120.6598	0.027	5	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){1|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6470	0.000	1	120.5305	0.027	2	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.4140	0.000	1	120.5305	0.027	2	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]Ge[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Ge<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6a](N[5a,6a]Ge[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7275	0.275	2	120.7093	0.039	3	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]Ge[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Ge<3>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6a](N[5a,6a]Ge[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.6730	0.000	1	120.7093	0.039	3	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]N[5a]N[6a])(C[5a]C[5a]F)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>,2|N<2>}	C[5a,6a](N[5a,6a]N[5a]N[6a])(C[5a]C[5a]F)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.4870	0.000	1	120.4870	0.000	1	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|C<2>,1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.7040	0.000	1	119.7382	0.030	5	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.7468	0.198	4	119.7382	0.030	5	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]N)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.5470	0.088	2	119.5470	0.008	2	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H){1|H<1>,6|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.0650	0.000	1	119.0650	0.000	1	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]O[6a])(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]O[6a])(H){1|C<4>,5|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){1|O<1>,1|O<2>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.9320	0.000	1	119.9320	0.000	1	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]C)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]C)(H){2|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.7620	0.000	1	119.7620	0.000	1	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]C)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]Br)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]C)(H){1|Br<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]Br)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1130	0.000	1	121.1130	0.000	1	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]C)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]C)(H){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7760	0.027	2	120.7760	0.001	2	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]C)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]C)(H){1|I<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]H){1|C<3>,1|I<1>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.3670	0.000	1	120.6010	0.110	2	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]C)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]C)(H){1|I<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]I)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8350	0.000	1	120.6010	0.110	2	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]C)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]C)(H){1|N<3>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|N<2>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.1360	0.000	1	121.1360	0.000	1	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]H)(H)	C[5a,6a](N[5a,6a]B[5,5a]C[6a])(C[5a]N[5a]B)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]H)(H){1|B<3>,1|B<4>,1|C<3>,1|N<4>}	C[5a,6a](N[5a,6a]B[5,5a]C[6a])(C[5a]N[5a]B)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|O<2>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7420	0.000	1	120.7420	0.000	1	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.9635	0.107	2	119.9635	0.011	2	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]S)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]S)(H){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Cl<1>,1|N<2>,1|S<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	121.0880	0.000	1	121.0880	0.000	1	120.0517	0.491	200	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]C){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.8170	0.000	1	120.8170	0.000	1	120.9203	0.251	12	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]H){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.9296	0.524	11	120.9296	0.275	11	120.9203	0.251	12	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]2)(C[6a]C[6a]C)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]2)(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	121.0250	0.000	1	121.0250	0.000	1	120.8717	0.060	3	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]2)(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.7950	0.290	2	120.7950	0.084	2	120.8717	0.060	3	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H)	C[5a,6a](N[5a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(H){1|O<2>,4|C<3>}	C[5a,6a](N[5a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H){1|H<1>,6|C<3>}	H(C[6a]C[5a,6a]C[6a])	120.5485	0.011	2	120.5485	0.000	2	120.7991	0.280	9	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a]B[5x3,5x5,20x6]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<6>,1|H<1>,3|C<3>}	C[5a,6a](N[5a]B[5x3,5x5,20x6]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<6>,2|H<1>,3|C<3>,4|B<6>}	H(C[6a]C[5a,6a]C[6a])	120.7613	0.702	4	120.7613	0.492	4	120.7991	0.280	9	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a]B[5x3,5x5,20x6]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<6>,1|H<1>,3|C<3>}	C[5a,6a](N[5a]B[5x3,5x5,20x6]C[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<3>,1|C<6>,4|B<6>,4|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.7505	0.255	2	120.7505	0.065	2	120.7991	0.280	9	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a]B[5x3,5x5,20x6]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|B<6>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](N[5a]B[5x3,5x5,20x6]C[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<3>,1|C<6>,3|H<1>,4|B<6>}	H(C[6a]C[5a,6a]C[6a])	121.5490	0.000	1	121.5490	0.000	1	120.7991	0.280	9	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a]C)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]N[6a]H)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a]C)(H){1|O<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]N[6a]H){1|H<1>,2|C<4>,3|C<3>}	H(C[6a]C[5a,6a]N[6a])	120.5930	0.000	1	120.5930	0.000	1	120.1770	0.346	2	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a]N)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]H)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a]N)(H){1|C<4>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]N[6a]H){1|H<1>,1|N<2>,4|C<3>}	H(C[6a]C[5a,6a]N[6a])	119.7610	0.000	1	119.7610	0.000	1	120.1770	0.346	2	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C[5])(H)	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]H)(C[6a]N[6a]H)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>,2|O<2>}	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]H)(C[6a]N[6a]H){1|C<3>,2|C<4>}	H(C[6a]C[5a,6a]N[6a])	120.9490	0.000	1	120.8800	0.010	2	120.8800	0.010	2	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C[5])(H)	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]H)(C[6a]N[6a]H)	H(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>,2|O<2>}	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]H)(C[6a]N[6a]H){1|C<4>,2|C<3>}	H(C[6a]C[5a,6a]N[6a])	120.8110	0.000	1	120.8800	0.010	2	120.8800	0.010	2	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[6,6,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]N[5a])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6,6a]H)(N[5a]C[5a]H)	H(C[6a]C[6,6,6a]C[5a,6a])	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]N[5a])(H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6,6a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[6,6,6a]C[5a,6a])	121.6870	0.000	1	121.6870	0.000	1	121.6870	0.000	1	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)	H(C[6a]C[5a,6a]C[6,6a])	C[6a](C[6,6a]C[5,6,6]C[6,6a])(C[5a,6a]C[5a,6a]2)(H){1|N<3>,3|C<3>,4|C<4>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6,6a])	119.3300	0.000	1	119.3300	0.000	1	120.4317	3.769	10	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6,6a]H)	H(C[6a]C[5a,6a]C[6,6a])	C[6a](C[6,6a]C[6,6a]C[6,6])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6,6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6,6a])	119.9010	0.000	1	119.9010	0.000	1	120.4317	3.769	10	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)	H(C[6a]C[5a,6a]C[6,6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[5a,6a]C[5a,6a]2)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6,6a])	120.7170	0.000	1	119.9019	0.322	7	120.4317	3.769	10	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)	H(C[6a]C[5a,6a]C[6,6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,2|C<4>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6,6a])	120.0030	0.000	1	119.9019	0.322	7	120.4317	3.769	10	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)	H(C[6a]C[5a,6a]C[6,6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,2|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6,6a])	120.6390	0.000	1	119.9019	0.322	7	120.4317	3.769	10	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)	H(C[6a]C[5a,6a]C[6,6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[5a,6a]C[5a,6a]2)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6,6a])	119.5560	0.000	1	119.9019	0.322	7	120.4317	3.769	10	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)	H(C[6a]C[5a,6a]C[6,6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[5a,6a]C[5a,6a]2)(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6,6a])	119.4070	0.049	2	119.9019	0.322	7	120.4317	3.769	10	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)	H(C[6a]C[5a,6a]C[6,6a])	C[6a](C[6,6a]C[6,6a]C[6])(C[5a,6a]C[5a,6a]2)(H){2|C<4>,2|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6,6a])	119.5840	0.000	1	119.9019	0.322	7	120.4317	3.769	10	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]O[6])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6,6a]H)	H(C[6a]C[5a,6a]C[6,6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[5a,6a]C[5a,6a]2)(H){1|C<4>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6,6a]H){1|O<2>,2|H<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6,6a])	125.7730	0.000	1	125.7730	0.000	1	120.4317	3.769	10	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])(C[6a]C[6a,6a]H)	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])(C[6a]C[6a,6a]H){1|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	119.5740	0.000	1	119.5740	0.000	1	120.5250	2.863	42	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a,6a]H)	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[5a,6a]C[5a,6a]2)(H){7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a,6a]H){1|H<1>,1|O<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	119.8740	0.000	1	119.8740	0.000	1	120.5250	2.863	42	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){7|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	119.6040	0.177	2	119.6040	0.031	2	120.5250	2.863	42	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H){1|C<4>,1|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	119.7520	0.000	1	119.8730	0.029	2	120.5250	2.863	42	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	119.9940	0.000	1	119.8730	0.029	2	120.5250	2.863	42	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H){1|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	123.6830	0.000	1	123.6830	0.000	1	120.5250	2.863	42	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	119.9194	0.105	5	121.3687	5.845	15	120.5250	2.863	42	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H){1|S<4>,2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	120.1495	0.180	4	121.3687	5.845	15	120.5250	2.863	42	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	121.8600	0.000	1	121.3687	5.845	15	120.5250	2.863	42	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|N<3>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	124.0420	4.637	2	121.3687	5.845	15	120.5250	2.863	42	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|O<1>,2|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H){3|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	123.4637	2.832	3	121.3687	5.845	15	120.5250	2.863	42	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	120.1990	0.000	1	120.1990	0.000	1	120.5250	2.863	42	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|C<2>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	119.5010	0.066	3	119.6362	0.014	13	120.5250	2.863	42	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H){1|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	119.6716	0.115	5	119.6362	0.014	13	120.5250	2.863	42	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H)	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a,6a]H){2|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	119.6820	0.092	5	119.6362	0.014	13	120.5250	2.863	42	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H){1|C<4>,1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	120.4837	0.248	3	120.6158	0.064	5	120.5250	2.863	42	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H){1|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	120.8270	0.000	1	120.6158	0.064	5	120.5250	2.863	42	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H)	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]H){1|O<2>,1|S<4>,4|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	120.8010	0.000	1	120.6158	0.064	5	120.5250	2.863	42	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]O[6a])(C[6a]C[6a,6a]H)	H(C[6a]C[5a,6a]C[6a,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|Cl<1>,1|N<2>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]O[6a])(C[6a]C[6a,6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a,6a])	120.8880	0.000	1	120.8880	0.000	1	120.5250	2.863	42	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){2|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.4240	0.000	1	119.4240	0.000	1	119.5645	0.039	2	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:3:3:	3:	C[6a]-3:C[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(H){1|N<3>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.7050	0.000	1	119.7050	0.000	1	119.5645	0.039	2	120.9454	0.591	17853	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:4:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]B[5a])(C[6a]C[5a]C[6a])(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(B[5a]N[5,5a]CC)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]B[5a])(C[6a]C[5a]C[6a])(H){1|H<1>,1|S<2>,2|C<3>,2|C<4>,2|N<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(B[5a]N[5,5a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.0253	0.286	3	119.0253	0.082	3	118.9317	0.090	4	121.3096	1.668	29	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:4:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]2)(H)	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(B[5a]N[5,5a]CC)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]2)(H){1|H<1>,2|C<4>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5,5a]C[6a])(B[5a]N[5,5a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]C[5a,6a]C[6a])	118.6510	0.000	1	118.6510	0.000	1	118.9317	0.090	4	121.3096	1.668	29	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:4:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,5a]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]C[5a,6a]3)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,5a])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]C[5a,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	H(C[6a]C[5a,6a]C[6a])	122.1811	0.080	8	122.1811	0.006	8	122.1811	0.006	8	121.3096	1.668	29	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:4:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]N[5a]C[6]2)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]N[5a]C[6]2)(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.3540	0.000	1	122.3540	0.000	1	122.3540	0.000	1	121.3096	1.668	29	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:4:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	H(C[6a]C[5a,6a]C[6a])	122.0607	0.312	10	122.0607	0.098	10	121.8959	0.429	12	121.3096	1.668	29	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:4:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]CC)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|N<2>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]CC)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[5a,6a]C[6a])	122.1230	0.000	1	122.1230	0.000	1	121.8959	0.429	12	121.3096	1.668	29	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:4:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]Li2)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|Li<4>,1|B<3>,1|C<3>,1|H<1>,1|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]B[5a]Li2)(C[6a]C[6a]H){1|B<3>,1|C<3>,3|H<1>}	H(C[6a]C[5a,6a]C[6a])	120.0210	0.000	1	120.0210	0.000	1	121.8959	0.429	12	121.3096	1.668	29	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:4:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:B[5,5a]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]B[5,5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6]C[6a])(B[5,5a]N[5a,6]O[5]2)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]B[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	C[5a,6a](N[5a,6a]C[5a,6]C[6a])(B[5,5a]N[5a,6]O[5]2)(C[6a]C[6a]H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.8595	0.261	2	119.8595	0.068	2	119.8595	0.068	2	121.3096	1.668	29	120.9874	0.680	23354	120.9632	0.704	57705
643	727	951	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	H	3:3:1:	3:4:3:	3:	C[5a,6a]-3:C[6a]-3:H-1:	N[5a,6a]-3:B[5a]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]B[5a])(C[6a]C[6a]H)(H)	C[5a,6a](N[5a,6a]C[5a,6]C[6a])(B[5a]N[5a,6]FF)(C[6a]C[6a]H)	H(C[6a]C[5a,6a]C[6a])	C[6a](C[5a,6a]N[5a,6a]B[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	C[5a,6a](N[5a,6a]C[5a,6]C[6a])(B[5a]N[5a,6]FF)(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<3>}	H(C[6a]C[5a,6a]C[6a])	119.9885	0.063	2	119.9885	0.004	2	119.9885	0.004	2	121.3096	1.668	29	120.9874	0.680	23354	120.9632	0.704	57705